data_gr_dc_co3dy_150k_autored
_audit_creation_date               2024-05-22
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C96 H90 Co3 Dy N6 O18, C H3 O'
_chemical_formula_sum              'C97 H93 Co3 Dy N6 O19'
_chemical_formula_weight           1986.06
_chemical_absolute_configuration   ad
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C H N O Co Dy'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Co' 'Co' 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Dy' 'Dy' -0.1892 4.4098
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'tetragonal'
_space_group_IT_number             78
_space_group_name_H-M_alt          'P 43'
_space_group_name_Hall             'P 4cw'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, z+1/2'
 '-y, x, z+3/4'
 'y, -x, z+1/4'

_cell_length_a                     14.9198(2)
_cell_length_b                     14.9198(2)
_cell_length_c                     43.3931(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       9659.3(3)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      18862
_cell_measurement_temperature      150.00(10)
_cell_measurement_theta_max        22.7270
_cell_measurement_theta_min        1.6620
_shelx_estimated_absorpt_T_max     0.856
_shelx_estimated_absorpt_T_min     0.804
_exptl_absorpt_coefficient_mu      1.339
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.59115
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light brown'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      brown
_exptl_crystal_density_diffrn      1.366
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               4064
_exptl_crystal_size_max            0.17
_exptl_crystal_size_mid            0.14
_exptl_crystal_size_min            0.12
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1337
_diffrn_reflns_av_unetI/netI       0.1649
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.928
_diffrn_reflns_limit_h_max         22
_diffrn_reflns_limit_h_min         -20
_diffrn_reflns_limit_k_max         18
_diffrn_reflns_limit_k_min         -22
_diffrn_reflns_limit_l_max         65
_diffrn_reflns_limit_l_min         -64
_diffrn_reflns_number              137056
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.884
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           32.879
_diffrn_reflns_theta_min           1.961
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        150.00(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   8
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.928
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -78.16   6.84   1.00    2.00    --  -21.60  89.85  69.33   85
  2  ω   -125.26  17.74   1.00    2.00    --  -21.60 -59.25  71.08  143
  3  ω   -125.26  17.74   1.00    2.00    --  -21.60 -59.25 -33.92  143
  4  ω   -125.26  17.74   1.00    2.00    --  -21.60 -59.25  20.08  143
;
_diffrn_measurement_device         'abstract diffractometer'
_diffrn_measurement_device_type   
 'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0374195000
_diffrn_orient_matrix_UB_12        0.0255091000
_diffrn_orient_matrix_UB_13        -0.0049588000
_diffrn_orient_matrix_UB_21        -0.0287389000
_diffrn_orient_matrix_UB_22        -0.0271996000
_diffrn_orient_matrix_UB_23        0.0090469000
_diffrn_orient_matrix_UB_31        0.0059207000
_diffrn_orient_matrix_UB_32        0.0294656000
_diffrn_orient_matrix_UB_33        0.0126802000
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'fine-focus sealed X-ray tube'
_diffrn_source_type                'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage           0.884
_reflns_Friedel_fraction_full      0.996
_reflns_Friedel_fraction_max       0.839
_reflns_number_gt                  19337
_reflns_number_total               31864
_reflns_odcompleteness_completeness  95.98
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       32.80
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection         'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction          'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.318
_refine_diff_density_min           -0.805
_refine_diff_density_rms           0.107
_refine_ls_abs_structure_details
;
 Flack x determined using 6376 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     -0.017(6)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     0.970
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1141
_refine_ls_number_reflns           31864
_refine_ls_number_restraints       5
_refine_ls_R_factor_all            0.1330
_refine_ls_R_factor_gt             0.0638
_refine_ls_restrained_S_all        0.970
_refine_ls_shift/su_max            0.002
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0434P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1092
_refine_ls_wR_factor_ref           0.1284
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C97-O19
 1.4 with sigma of 0.01
 C98-O20
 1.4 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C97 \\sim O19: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C98 \\sim O20: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
4. Others
 Fixed Sof: O19(0.75) C97(0.75) H97A(0.75) H97B(0.75) H97C(0.75) O20(0.25)
 C98(0.25) H98A(0.25) H98B(0.25) H98C(0.25)
5.a Ternary CH refined with riding coordinates:
 C50(H50), C82(H82), C34(H34), C66(H66), C18(H18), C2(H2)
5.b Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C1(H1A,H1B), C49(H49A,H49B), C17(H17A,H17B), C81(H81A,H81B),
 C65(H65A,H65B)
5.c Aromatic/amide H refined with riding coordinates:
 C40(H40), C89(H89), C73(H73), C24(H24), C88(H88), C23(H23), C39(H39),
 C52(H52), C72(H72), C4(H4), C25(H25), C84(H84), C5(H5), C87(H87), C20(H20),
 C56(H56), C68(H68), C71(H71), C41(H41), C8(H8), C69(H69), C86(H86), C54(H54),
 C75(H75), C55(H55), C70(H70), C13(H13), C36(H36), C37(H37), C9(H9), C6(H6),
 C85(H85), C93(H93), C45(H45), C22(H22), C27(H27), C91(H91), C77(H77), C61(H61),
  C7(H7), C57(H57), C53(H53), C29(H29), C92(H92), C76(H76), C43(H43), C12(H12),
 C59(H59), C21(H21), C38(H38), C11(H11), C60(H60), C44(H44), C28(H28)
5.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C64(H64A,H64B,H64C), C96(H96A,H96B,H96C), C80(H80A,H80B,
 H80C), C48(H48A,H48B,H48C), C32(H32A,H32B,H32C), C97(H97A,H97B,H97C), C98(H98A,
 H98B,H98C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Dy1 Dy 0.18186(2) 0.68189(2) 0.50090(2) 0.02305(7) Uani 1 1 d . . . . .
 Co1 Co 0.11659(6) 0.88959(6) 0.49282(2) 0.0254(2) Uani 1 1 d . . . . .
 Co2 Co 0.38958(6) 0.61670(6) 0.50885(2) 0.0258(2) Uani 1 1 d . . . . .
 Co3 Co 0.02654(6) 0.52652(6) 0.50082(3) 0.02548(19) Uani 1 1 d . . . . .
 O2 O 0.1408(3) 0.7875(3) 0.46659(12) 0.0263(11) Uani 1 1 d . . . . .
 O3 O 0.2868(3) 0.6410(3) 0.53516(11) 0.0247(11) Uani 1 1 d . . . . .
 O6 O 0.1160(3) 0.5723(3) 0.47286(11) 0.0241(11) Uani 1 1 d . . . . .
 O4 O 0.3127(3) 0.6544(3) 0.47523(12) 0.0249(11) Uani 1 1 d . . . . .
 O9 O 0.0627(5) 1.0260(4) 0.40430(14) 0.0485(16) Uani 1 1 d . . . . .
 O5 O 0.0732(3) 0.6161(3) 0.52869(12) 0.0274(11) Uani 1 1 d . . . . .
 O1 O 0.1537(3) 0.8122(3) 0.52660(12) 0.0263(11) Uani 1 1 d . . . . .
 O11 O 0.4888(3) 0.5980(4) 0.48280(13) 0.0352(13) Uani 1 1 d . . . . .
 O7 O 0.0973(4) 0.9884(3) 0.51851(13) 0.0355(13) Uani 1 1 d . . . . .
 O8 O 0.0782(4) 0.9565(3) 0.45854(12) 0.0334(12) Uani 1 1 d . . . . .
 O12 O 0.4562(3) 0.5775(4) 0.54276(12) 0.0327(12) Uani 1 1 d . . . . .
 O16 O -0.0628(3) 0.4900(3) 0.52888(13) 0.0360(13) Uani 1 1 d . . . . .
 O13 O 0.5254(4) 0.5615(5) 0.59725(13) 0.0486(16) Uani 1 1 d . . . . .
 O15 O -0.0100(3) 0.4371(3) 0.47248(14) 0.0360(13) Uani 1 1 d . . . . .
 N3 N 0.4226(4) 0.7365(4) 0.51927(15) 0.0303(14) Uani 1 1 d . . . . .
 N2 N 0.2355(4) 0.9219(4) 0.48152(16) 0.0319(15) Uani 1 1 d . . . . .
 O18 O -0.0586(5) 0.3470(4) 0.42452(17) 0.062(2) Uani 1 1 d . . . . .
 O17 O -0.1532(4) 0.4425(5) 0.57690(17) 0.0607(19) Uani 1 1 d . . . . .
 N5 N 0.1067(4) 0.4511(4) 0.52283(14) 0.0248(13) Uani 1 1 d . . . . .
 O14 O 0.5977(4) 0.5538(7) 0.43529(18) 0.078(3) Uani 1 1 d . . . . .
 N6 N -0.0498(4) 0.6064(4) 0.47874(14) 0.0265(13) Uani 1 1 d . . . . .
 C33 C 0.3168(5) 0.6971(5) 0.55941(19) 0.0288(17) Uani 1 1 d . . . . .
 H33A H 0.355056 0.662437 0.573750 0.035 Uiso 1 1 calc R U . . .
 H33B H 0.264830 0.720467 0.571090 0.035 Uiso 1 1 calc R U . . .
 C1 C 0.0879(5) 0.8201(5) 0.54998(17) 0.0269(16) Uani 1 1 d . . . . .
 H1A H 0.092155 0.879830 0.559817 0.032 Uiso 1 1 calc R U . . .
 H1B H 0.097968 0.773940 0.565997 0.032 Uiso 1 1 calc R U . . .
 N1 N -0.0001(4) 0.8536(4) 0.50515(15) 0.0302(14) Uani 1 1 d . . . . .
 C3 C -0.0779(5) 0.8383(6) 0.5573(2) 0.037(2) Uani 1 1 d . . . . .
 C50 C 0.3086(5) 0.4944(5) 0.46584(18) 0.0272(16) Uani 1 1 d . . . . .
 H50 H 0.243101 0.485688 0.469805 0.033 Uiso 1 1 calc R U . . .
 C51 C 0.3379(6) 0.4218(5) 0.4441(2) 0.038(2) Uani 1 1 d . . . . .
 C67 C 0.1421(6) 0.4266(5) 0.57922(19) 0.0341(18) Uani 1 1 d . . . . .
 C82 C -0.0115(5) 0.6440(5) 0.44956(18) 0.0279(16) Uani 1 1 d . . . . .
 H82 H 0.005776 0.707714 0.453454 0.033 Uiso 1 1 calc R U . . .
 C49 C 0.3203(5) 0.5878(5) 0.45145(18) 0.0275(16) Uani 1 1 d . . . . .
 H49A H 0.379823 0.592117 0.441465 0.033 Uiso 1 1 calc R U . . .
 H49B H 0.273793 0.597793 0.435560 0.033 Uiso 1 1 calc R U . . .
 C34 C 0.3699(5) 0.7744(5) 0.5459(2) 0.0342(18) Uani 1 1 d . . . . .
 H34 H 0.326139 0.818684 0.537368 0.041 Uiso 1 1 calc R U . . .
 C17 C 0.1973(5) 0.8170(5) 0.44173(19) 0.0310(18) Uani 1 1 d . . . . .
 H17A H 0.163033 0.855645 0.427403 0.037 Uiso 1 1 calc R U . . .
 H17B H 0.220434 0.764836 0.430100 0.037 Uiso 1 1 calc R U . . .
 C83 C -0.0738(5) 0.6419(5) 0.42235(19) 0.0329(18) Uani 1 1 d . . . . .
 O10 O 0.0539(7) 1.0973(5) 0.56597(19) 0.076(2) Uani 1 1 d . . . . .
 C95 C -0.1396(5) 0.5332(5) 0.5336(2) 0.038(2) Uani 1 1 d . . . . .
 C66 C 0.1428(5) 0.4880(5) 0.55147(18) 0.0276(16) Uani 1 1 d . . . . .
 H66 H 0.206485 0.505389 0.547489 0.033 Uiso 1 1 calc R U . . .
 C81 C 0.0750(5) 0.5895(5) 0.44383(18) 0.0283(16) Uani 1 1 d . . . . .
 H81A H 0.060445 0.532341 0.433393 0.034 Uiso 1 1 calc R U . . .
 H81B H 0.116408 0.623900 0.430480 0.034 Uiso 1 1 calc R U . . .
 C18 C 0.2750(5) 0.8697(5) 0.4560(2) 0.0361(19) Uani 1 1 d . . . . .
 H18 H 0.319133 0.826205 0.464767 0.043 Uiso 1 1 calc R U . . .
 C65 C 0.0898(5) 0.5747(5) 0.55768(18) 0.0298(17) Uani 1 1 d . . . . .
 H65A H 0.032481 0.560595 0.568098 0.036 Uiso 1 1 calc R U . . .
 H65B H 0.124865 0.615276 0.571099 0.036 Uiso 1 1 calc R U . . .
 C40 C 0.5010(6) 0.7801(6) 0.5825(2) 0.048(2) Uani 1 1 d . . . . .
 H40 H 0.515070 0.719960 0.577152 0.057 Uiso 1 1 calc R U . . .
 N4 N 0.3540(4) 0.5001(4) 0.49630(15) 0.0291(14) Uani 1 1 d . . . . .
 C79 C 0.0338(5) 0.3606(5) 0.4679(2) 0.0360(19) Uani 1 1 d . . . . .
 C2 C -0.0051(5) 0.8079(5) 0.53564(18) 0.0297(17) Uani 1 1 d . . . . .
 H2 H -0.013874 0.742450 0.531757 0.036 Uiso 1 1 calc R U . . .
 C89 C -0.1291(5) 0.6307(5) 0.48662(19) 0.0283(17) Uani 1 1 d . . . . .
 H89 H -0.159512 0.672014 0.473638 0.034 Uiso 1 1 calc R U . . .
 C74 C 0.1006(5) 0.3253(5) 0.4875(2) 0.0348(19) Uani 1 1 d . . . . .
 C73 C 0.1299(5) 0.3714(5) 0.5148(2) 0.0310(18) Uani 1 1 d . . . . .
 H73 H 0.169862 0.340332 0.528105 0.037 Uiso 1 1 calc R U . . .
 C19 C 0.3231(6) 0.9280(5) 0.4321(2) 0.038(2) Uani 1 1 d . . . . .
 C90 C -0.1751(5) 0.5998(5) 0.5137(2) 0.0329(18) Uani 1 1 d . . . . .
 C24 C 0.2803(6) 1.0014(5) 0.4192(2) 0.044(2) Uani 1 1 d . . . . .
 H24 H 0.220399 1.015584 0.424779 0.053 Uiso 1 1 calc R U . . .
 C35 C 0.4272(6) 0.8226(5) 0.5693(2) 0.039(2) Uani 1 1 d . . . . .
 C88 C -0.0888(5) 0.7174(7) 0.4047(2) 0.046(2) Uani 1 1 d . . . . .
 H88 H -0.062265 0.772633 0.410705 0.055 Uiso 1 1 calc R U . . .
 C31 C 0.1624(7) 1.0356(5) 0.5307(2) 0.046(2) Uani 1 1 d . . . . .
 C47 C 0.5350(5) 0.6618(7) 0.4704(2) 0.045(2) Uani 1 1 d . . . . .
 C62 C 0.4919(6) 0.4864(7) 0.5849(2) 0.050(2) Uani 1 1 d . . . . .
 C78 C 0.0070(7) 0.3087(6) 0.4424(2) 0.046(2) Uani 1 1 d . . . . .
 C23 C 0.3265(8) 1.0542(7) 0.3978(3) 0.061(3) Uani 1 1 d . . . . .
 H23 H 0.297106 1.104302 0.388812 0.073 Uiso 1 1 calc R U . . .
 C15 C -0.0017(6) 0.9526(5) 0.4468(2) 0.042(2) Uani 1 1 d . . . . .
 C39 C 0.5537(7) 0.8268(8) 0.6034(3) 0.062(3) Uani 1 1 d . . . . .
 H39 H 0.604652 0.797542 0.611795 0.075 Uiso 1 1 calc R U . . .
 C63 C 0.4530(5) 0.4995(6) 0.5549(2) 0.042(2) Uani 1 1 d . . . . .
 C14 C -0.0136(7) 0.9904(6) 0.4164(2) 0.048(2) Uani 1 1 d . . . . .
 C46 C 0.5948(6) 0.6397(9) 0.4455(2) 0.061(3) Uani 1 1 d . . . . .
 C94 C -0.1916(6) 0.5074(7) 0.5591(2) 0.049(2) Uani 1 1 d . . . . .
 C52 C 0.2757(7) 0.3825(7) 0.4252(2) 0.055(3) Uani 1 1 d . . . . .
 H52 H 0.214148 0.397317 0.427608 0.067 Uiso 1 1 calc R U . . .
 C72 C 0.0627(7) 0.3857(6) 0.5881(2) 0.048(2) Uani 1 1 d . . . . .
 H72 H 0.009543 0.395712 0.576522 0.058 Uiso 1 1 calc R U . . .
 C4 C -0.1176(7) 0.7747(7) 0.5765(3) 0.058(3) Uani 1 1 d . . . . .
 H4 H -0.103253 0.713026 0.574287 0.070 Uiso 1 1 calc R U . . .
 C25 C 0.2833(6) 0.9804(5) 0.4963(2) 0.042(2) Uani 1 1 d . . . . .
 H25 H 0.343882 0.987900 0.490043 0.051 Uiso 1 1 calc R U . . .
 C84 C -0.1147(6) 0.5641(7) 0.4132(2) 0.051(2) Uani 1 1 d . . . . .
 H84 H -0.105665 0.511477 0.425112 0.061 Uiso 1 1 calc R U . . .
 C5 C -0.1784(7) 0.8021(9) 0.5990(3) 0.076(4) Uani 1 1 d . . . . .
 H5 H -0.205933 0.758400 0.611800 0.092 Uiso 1 1 calc R U . . .
 C87 C -0.1422(6) 0.7145(8) 0.3784(2) 0.056(3) Uani 1 1 d . . . . .
 H87 H -0.151575 0.766773 0.366308 0.067 Uiso 1 1 calc R U . . .
 C26 C 0.2518(7) 1.0353(5) 0.5217(2) 0.045(2) Uani 1 1 d . . . . .
 C30 C 0.1412(9) 1.0950(6) 0.5557(2) 0.063(3) Uani 1 1 d . . . . .
 C20 C 0.4086(7) 0.9072(7) 0.4230(3) 0.069(4) Uani 1 1 d . . . . .
 H20 H 0.437640 0.855918 0.431272 0.082 Uiso 1 1 calc R U . . .
 C56 C 0.4277(6) 0.3993(6) 0.4406(3) 0.054(3) Uani 1 1 d . . . . .
 H56 H 0.471441 0.426043 0.453572 0.065 Uiso 1 1 calc R U . . .
 C68 C 0.2187(7) 0.4114(5) 0.5966(2) 0.048(2) Uani 1 1 d . . . . .
 H68 H 0.274378 0.437302 0.590763 0.058 Uiso 1 1 calc R U . . .
 C71 C 0.0603(8) 0.3304(6) 0.6138(3) 0.060(3) Uani 1 1 d . . . . .
 H71 H 0.006149 0.301082 0.619291 0.072 Uiso 1 1 calc R U . . .
 C41 C 0.4815(5) 0.7839(6) 0.5052(2) 0.043(2) Uani 1 1 d . . . . .
 H41 H 0.490744 0.843537 0.512215 0.051 Uiso 1 1 calc R U . . .
 C8 C -0.1000(6) 0.9281(6) 0.5610(3) 0.054(3) Uani 1 1 d . . . . .
 H8 H -0.072925 0.972169 0.548239 0.065 Uiso 1 1 calc R U . . .
 C69 C 0.2122(8) 0.3571(6) 0.6227(2) 0.057(3) Uani 1 1 d . . . . .
 H69 H 0.264191 0.347780 0.634970 0.068 Uiso 1 1 calc R U . . .
 C86 C -0.1809(7) 0.6345(10) 0.3703(3) 0.069(4) Uani 1 1 d . . . . .
 H86 H -0.217432 0.631823 0.352398 0.083 Uiso 1 1 calc R U . . .
 C54 C 0.3883(10) 0.2992(7) 0.3989(3) 0.083(4) Uani 1 1 d . . . . .
 H54 H 0.405727 0.257611 0.383379 0.100 Uiso 1 1 calc R U . . .
 C75 C 0.1389(7) 0.2398(5) 0.4813(2) 0.051(2) Uani 1 1 d . . . . .
 H75 H 0.184696 0.217007 0.494357 0.061 Uiso 1 1 calc R U . . .
 C58 C 0.4128(6) 0.4235(6) 0.5404(2) 0.050(2) Uani 1 1 d . . . . .
 C10 C -0.0759(6) 0.9147(6) 0.4609(2) 0.050(2) Uani 1 1 d . . . . .
 C55 C 0.4541(8) 0.3381(7) 0.4183(3) 0.073(4) Uani 1 1 d . . . . .
 H55 H 0.515527 0.322422 0.416077 0.087 Uiso 1 1 calc R U . . .
 C70 C 0.1356(10) 0.3180(6) 0.6312(3) 0.066(3) Uani 1 1 d . . . . .
 H70 H 0.133455 0.281664 0.649145 0.079 Uiso 1 1 calc R U . . .
 C13 C -0.0939(8) 0.9917(9) 0.4019(3) 0.081(4) Uani 1 1 d . . . . .
 H13 H -0.099860 1.017558 0.381981 0.097 Uiso 1 1 calc R U . . .
 C42 C 0.5343(6) 0.7536(7) 0.4797(2) 0.049(2) Uani 1 1 d . . . . .
 C36 C 0.4063(7) 0.9098(7) 0.5783(3) 0.077(4) Uani 1 1 d . . . . .
 H36 H 0.355046 0.939062 0.570101 0.092 Uiso 1 1 calc R U . . .
 C37 C 0.4623(8) 0.9543(8) 0.5997(3) 0.082(4) Uani 1 1 d . . . . .
 H37 H 0.449068 1.014357 0.605424 0.098 Uiso 1 1 calc R U . . .
 C9 C -0.0727(5) 0.8705(5) 0.4897(2) 0.043(2) Uani 1 1 d . . . . .
 H9 H -0.128015 0.851612 0.498395 0.051 Uiso 1 1 calc R U . . .
 C16 C 0.0569(10) 1.0584(7) 0.3739(3) 0.083(4) Uani 1 1 d . . . . .
 H16A H 0.048136 1.007981 0.359705 0.124 Uiso 1 1 calc R U . . .
 H16B H 0.112465 1.089855 0.368562 0.124 Uiso 1 1 calc R U . . .
 H16C H 0.006184 1.099789 0.372181 0.124 Uiso 1 1 calc R U . . .
 C6 C -0.1993(7) 0.8917(10) 0.6030(3) 0.086(5) Uani 1 1 d . . . . .
 H6 H -0.238791 0.910192 0.619005 0.104 Uiso 1 1 calc R U . . .
 C85 C -0.1684(6) 0.5590(7) 0.3873(3) 0.062(3) Uani 1 1 d . . . . .
 H85 H -0.195928 0.504077 0.381565 0.075 Uiso 1 1 calc R U . . .
 C64 C 0.5586(7) 0.5558(9) 0.6281(2) 0.075(3) Uani 1 1 d . . . . .
 H64A H 0.596918 0.502738 0.630142 0.113 Uiso 1 1 calc R U . . .
 H64B H 0.508110 0.550991 0.642491 0.113 Uiso 1 1 calc R U . . .
 H64C H 0.593488 0.609642 0.632914 0.113 Uiso 1 1 calc R U . . .
 C93 C -0.2744(6) 0.5446(8) 0.5643(3) 0.062(3) Uani 1 1 d . . . . .
 H93 H -0.308964 0.525463 0.581449 0.074 Uiso 1 1 calc R U . . .
 C45 C 0.6454(7) 0.7035(11) 0.4309(3) 0.091(5) Uani 1 1 d . . . . .
 H45 H 0.682468 0.686942 0.414018 0.109 Uiso 1 1 calc R U . . .
 C22 C 0.4118(8) 1.0358(8) 0.3895(3) 0.071(3) Uani 1 1 d . . . . .
 H22 H 0.443105 1.073871 0.375651 0.085 Uiso 1 1 calc R U . . .
 C27 C 0.3157(8) 1.0890(7) 0.5367(3) 0.075(4) Uani 1 1 d . . . . .
 H27 H 0.376299 1.089772 0.529937 0.090 Uiso 1 1 calc R U . . .
 C91 C -0.2597(5) 0.6383(7) 0.5199(2) 0.050(2) Uani 1 1 d . . . . .
 H91 H -0.282694 0.683937 0.506862 0.060 Uiso 1 1 calc R U . . .
 C77 C 0.0444(8) 0.2265(6) 0.4368(3) 0.062(3) Uani 1 1 d . . . . .
 H77 H 0.025874 0.193331 0.419261 0.075 Uiso 1 1 calc R U . . .
 C61 C 0.4908(8) 0.4058(8) 0.5991(3) 0.079(4) Uani 1 1 d . . . . .
 H61 H 0.515152 0.399594 0.619206 0.095 Uiso 1 1 calc R U . . .
 C7 C -0.1614(7) 0.9533(9) 0.5833(3) 0.078(4) Uani 1 1 d . . . . .
 H7 H -0.177838 1.014599 0.584989 0.093 Uiso 1 1 calc R U . . .
 C57 C 0.3705(5) 0.4263(5) 0.5113(2) 0.042(2) Uani 1 1 d . . . . .
 H57 H 0.353086 0.371128 0.502086 0.050 Uiso 1 1 calc R U . . .
 C53 C 0.3005(9) 0.3210(8) 0.4023(3) 0.087(5) Uani 1 1 d . . . . .
 H53 H 0.256405 0.294941 0.389266 0.104 Uiso 1 1 calc R U . . .
 C29 C 0.2025(11) 1.1444(7) 0.5702(3) 0.085(4) Uani 1 1 d . . . . .
 H29 H 0.184739 1.182115 0.586744 0.102 Uiso 1 1 calc R U . . .
 C92 C -0.3081(6) 0.6100(8) 0.5446(3) 0.066(3) Uani 1 1 d . . . . .
 H92 H -0.365564 0.635059 0.548458 0.079 Uiso 1 1 calc R U . . .
 C96 C -0.2055(7) 0.4084(10) 0.6014(3) 0.094(5) Uani 1 1 d . . . . .
 H96A H -0.264888 0.391647 0.593623 0.142 Uiso 1 1 calc R U . . .
 H96B H -0.211897 0.454370 0.617352 0.142 Uiso 1 1 calc R U . . .
 H96C H -0.176023 0.355499 0.610118 0.142 Uiso 1 1 calc R U . . .
 C76 C 0.1099(8) 0.1901(6) 0.4567(3) 0.063(3) Uani 1 1 d . . . . .
 H76 H 0.133649 0.132023 0.452993 0.076 Uiso 1 1 calc R U . . .
 C43 C 0.5893(7) 0.8164(8) 0.4648(3) 0.072(3) Uani 1 1 d . . . . .
 H43 H 0.589944 0.877139 0.471319 0.087 Uiso 1 1 calc R U . . .
 C12 C -0.1682(10) 0.9538(11) 0.4169(4) 0.115(7) Uani 1 1 d . . . . .
 H12 H -0.224845 0.953196 0.406921 0.139 Uiso 1 1 calc R U . . .
 C59 C 0.4170(10) 0.3404(8) 0.5560(3) 0.099(5) Uani 1 1 d . . . . .
 H59 H 0.392764 0.288969 0.546166 0.119 Uiso 1 1 calc R U . . .
 C21 C 0.4529(8) 0.9605(10) 0.4017(3) 0.092(5) Uani 1 1 d . . . . .
 H21 H 0.511984 0.945189 0.395425 0.111 Uiso 1 1 calc R U . . .
 C38 C 0.5360(8) 0.9117(8) 0.6124(3) 0.072(3) Uani 1 1 d . . . . .
 H38 H 0.573151 0.941322 0.626980 0.087 Uiso 1 1 calc R U . . .
 C80 C -0.0917(10) 0.2966(8) 0.3996(3) 0.101(5) Uani 1 1 d . . . . .
 H80A H -0.042431 0.282531 0.385434 0.152 Uiso 1 1 calc R U . . .
 H80B H -0.137485 0.331332 0.388664 0.152 Uiso 1 1 calc R U . . .
 H80C H -0.118120 0.240761 0.407265 0.152 Uiso 1 1 calc R U . . .
 C11 C -0.1599(8) 0.9177(10) 0.4459(3) 0.096(5) Uani 1 1 d . . . . .
 H11 H -0.211411 0.894306 0.455931 0.115 Uiso 1 1 calc R U . . .
 C60 C 0.4532(11) 0.3305(10) 0.5839(4) 0.129(8) Uani 1 1 d . . . . .
 H60 H 0.453888 0.273348 0.593571 0.155 Uiso 1 1 calc R U . . .
 C44 C 0.6429(9) 0.7888(11) 0.4401(3) 0.099(5) Uani 1 1 d . . . . .
 H44 H 0.678610 0.831873 0.429655 0.119 Uiso 1 1 calc R U . . .
 C28 C 0.2882(12) 1.1417(8) 0.5619(3) 0.092(5) Uani 1 1 d . . . . .
 H28 H 0.331256 1.175613 0.572999 0.110 Uiso 1 1 calc R U . . .
 C48 C 0.6496(8) 0.4971(10) 0.4529(4) 0.122(7) Uani 1 1 d . . . . .
 H48A H 0.656467 0.439647 0.442217 0.183 Uiso 1 1 calc R U . . .
 H48B H 0.620488 0.487265 0.472861 0.183 Uiso 1 1 calc R U . . .
 H48C H 0.708726 0.524100 0.456149 0.183 Uiso 1 1 calc R U . . .
 C32 C -0.0012(9) 1.1477(8) 0.5482(3) 0.086(4) Uani 1 1 d . . . . .
 H32A H -0.008604 1.118786 0.528028 0.129 Uiso 1 1 calc R U . . .
 H32B H 0.024997 1.207354 0.545328 0.129 Uiso 1 1 calc R U . . .
 H32C H -0.059703 1.153249 0.558211 0.129 Uiso 1 1 calc R U . . .
 O19 O -0.1869(9) 0.3546(9) 0.4869(4) 0.115(4) Uiso 0.75 1 d D U P . .
 C97 C -0.1479(10) 0.3138(9) 0.5135(4) 0.068(4) Uiso 0.75 1 d D U P . .
 H97A H -0.098592 0.351230 0.521090 0.101 Uiso 0.75 1 calc R U P . .
 H97B H -0.124783 0.254348 0.508074 0.101 Uiso 0.75 1 calc R U P . .
 H97C H -0.193446 0.307773 0.529646 0.101 Uiso 0.75 1 calc R U P . .
 O20 O -0.319(2) 0.262(2) 0.5410(8) 0.084(9) Uiso 0.25 1 d D U P . .
 C98 C -0.245(2) 0.209(2) 0.5478(10) 0.058(10) Uiso 0.25 1 d D U P . .
 H98A H -0.243828 0.156943 0.533864 0.088 Uiso 0.25 1 calc R U P . .
 H98B H -0.249106 0.187632 0.569155 0.088 Uiso 0.25 1 calc R U P . .
 H98C H -0.189870 0.243608 0.545179 0.088 Uiso 0.25 1 calc R U P . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Dy1 Co1 3.2671(9) . ?
 Dy1 Co2 3.2665(9) . ?
 Dy1 Co3 3.2778(9) . ?
 Dy1 O2 2.253(5) . ?
 Dy1 O3 2.244(5) . ?
 Dy1 O6 2.263(5) . ?
 Dy1 O4 2.285(5) . ?
 Dy1 O5 2.246(5) . ?
 Dy1 O1 2.280(5) . ?
 Co1 O2 1.935(5) . ?
 Co1 O1 1.947(5) . ?
 Co1 O7 1.871(5) . ?
 Co1 O8 1.881(5) . ?
 Co1 N2 1.903(6) . ?
 Co1 N1 1.900(6) . ?
 Co2 O3 1.946(5) . ?
 Co2 O4 1.939(5) . ?
 Co2 O11 1.884(5) . ?
 Co2 O12 1.870(5) . ?
 Co2 N3 1.909(6) . ?
 Co2 N4 1.899(6) . ?
 Co3 O6 1.929(5) . ?
 Co3 O5 1.933(5) . ?
 Co3 O16 1.886(5) . ?
 Co3 O15 1.894(5) . ?
 Co3 N5 1.900(6) . ?
 Co3 N6 1.907(6) . ?
 O2 C17 1.438(9) . ?
 O3 C33 1.418(9) . ?
 O6 C81 1.424(9) . ?
 O4 C49 1.437(8) . ?
 O9 C14 1.361(12) . ?
 O9 C16 1.408(11) . ?
 O5 C65 1.423(9) . ?
 O1 C1 1.416(8) . ?
 O11 C47 1.292(10) . ?
 O7 C31 1.311(11) . ?
 O8 C15 1.299(9) . ?
 O12 C63 1.279(9) . ?
 O16 C95 1.331(9) . ?
 O13 C62 1.337(12) . ?
 O13 C64 1.431(10) . ?
 O15 C79 1.329(9) . ?
 N3 C34 1.508(10) . ?
 N3 C41 1.282(10) . ?
 N2 C18 1.476(11) . ?
 N2 C25 1.298(10) . ?
 O18 C78 1.373(11) . ?
 O18 C80 1.407(12) . ?
 O17 C94 1.364(11) . ?
 O17 C96 1.413(12) . ?
 N5 C66 1.462(9) . ?
 N5 C73 1.285(9) . ?
 O14 C46 1.357(14) . ?
 O14 C48 1.377(15) . ?
 N6 C82 1.498(9) . ?
 N6 C89 1.284(9) . ?
 C33 H33A 0.9900 . ?
 C33 H33B 0.9900 . ?
 C33 C34 1.517(10) . ?
 C1 H1A 0.9900 . ?
 C1 H1B 0.9900 . ?
 C1 C2 1.531(10) . ?
 N1 C2 1.490(10) . ?
 N1 C9 1.299(9) . ?
 C3 C2 1.506(11) . ?
 C3 C4 1.395(13) . ?
 C3 C8 1.389(12) . ?
 C50 H50 1.0000 . ?
 C50 C51 1.501(10) . ?
 C50 C49 1.537(10) . ?
 C50 N4 1.488(9) . ?
 C51 C52 1.372(13) . ?
 C51 C56 1.390(12) . ?
 C67 C66 1.513(10) . ?
 C67 C72 1.387(12) . ?
 C67 C68 1.387(12) . ?
 C82 H82 1.0000 . ?
 C82 C83 1.502(10) . ?
 C82 C81 1.546(10) . ?
 C49 H49A 0.9900 . ?
 C49 H49B 0.9900 . ?
 C34 H34 1.0000 . ?
 C34 C35 1.510(11) . ?
 C17 H17A 0.9900 . ?
 C17 H17B 0.9900 . ?
 C17 C18 1.531(11) . ?
 C83 C88 1.379(12) . ?
 C83 C84 1.371(12) . ?
 O10 C30 1.377(14) . ?
 O10 C32 1.355(15) . ?
 C95 C90 1.419(12) . ?
 C95 C94 1.405(12) . ?
 C66 H66 1.0000 . ?
 C66 C65 1.539(10) . ?
 C81 H81A 0.9900 . ?
 C81 H81B 0.9900 . ?
 C18 H18 1.0000 . ?
 C18 C19 1.530(11) . ?
 C65 H65A 0.9900 . ?
 C65 H65B 0.9900 . ?
 C40 H40 0.9500 . ?
 C40 C35 1.392(12) . ?
 C40 C39 1.388(13) . ?
 N4 C57 1.302(9) . ?
 C79 C74 1.413(11) . ?
 C79 C78 1.410(11) . ?
 C2 H2 1.0000 . ?
 C89 H89 0.9500 . ?
 C89 C90 1.437(11) . ?
 C74 C73 1.439(11) . ?
 C74 C75 1.423(11) . ?
 C73 H73 0.9500 . ?
 C19 C24 1.385(11) . ?
 C19 C20 1.372(12) . ?
 C90 C91 1.412(11) . ?
 C24 H24 0.9500 . ?
 C24 C23 1.401(13) . ?
 C35 C36 1.393(12) . ?
 C88 H88 0.9500 . ?
 C88 C87 1.394(13) . ?
 C31 C26 1.390(13) . ?
 C31 C30 1.436(12) . ?
 C47 C46 1.441(13) . ?
 C47 C42 1.428(13) . ?
 C62 C63 1.440(12) . ?
 C62 C61 1.351(13) . ?
 C78 C77 1.367(12) . ?
 C23 H23 0.9500 . ?
 C23 C22 1.350(14) . ?
 C15 C14 1.445(12) . ?
 C15 C10 1.387(13) . ?
 C39 H39 0.9500 . ?
 C39 C38 1.352(14) . ?
 C63 C58 1.428(13) . ?
 C14 C13 1.353(14) . ?
 C46 C45 1.370(16) . ?
 C94 C93 1.373(12) . ?
 C52 H52 0.9500 . ?
 C52 C53 1.402(14) . ?
 C72 H72 0.9500 . ?
 C72 C71 1.387(13) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.393(14) . ?
 C25 H25 0.9500 . ?
 C25 C26 1.450(12) . ?
 C84 H84 0.9500 . ?
 C84 C85 1.381(13) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.384(16) . ?
 C87 H87 0.9500 . ?
 C87 C86 1.371(17) . ?
 C26 C27 1.406(13) . ?
 C30 C29 1.332(17) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.386(14) . ?
 C56 H56 0.9500 . ?
 C56 C55 1.387(14) . ?
 C68 H68 0.9500 . ?
 C68 C69 1.399(13) . ?
 C71 H71 0.9500 . ?
 C71 C70 1.366(16) . ?
 C41 H41 0.9500 . ?
 C41 C42 1.432(13) . ?
 C8 H8 0.9500 . ?
 C8 C7 1.384(15) . ?
 C69 H69 0.9500 . ?
 C69 C70 1.334(16) . ?
 C86 H86 0.9500 . ?
 C86 C85 1.360(16) . ?
 C54 H54 0.9500 . ?
 C54 C55 1.419(18) . ?
 C54 C53 1.358(16) . ?
 C75 H75 0.9500 . ?
 C75 C76 1.371(14) . ?
 C58 C57 1.414(12) . ?
 C58 C59 1.415(13) . ?
 C10 C9 1.412(12) . ?
 C10 C11 1.415(13) . ?
 C55 H55 0.9500 . ?
 C70 H70 0.9500 . ?
 C13 H13 0.9500 . ?
 C13 C12 1.405(17) . ?
 C42 C43 1.404(13) . ?
 C36 H36 0.9500 . ?
 C36 C37 1.414(14) . ?
 C37 H37 0.9500 . ?
 C37 C38 1.385(15) . ?
 C9 H9 0.9500 . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C6 H6 0.9500 . ?
 C6 C7 1.379(18) . ?
 C85 H85 0.9500 . ?
 C64 H64A 0.9800 . ?
 C64 H64B 0.9800 . ?
 C64 H64C 0.9800 . ?
 C93 H93 0.9500 . ?
 C93 C92 1.390(15) . ?
 C45 H45 0.9500 . ?
 C45 C44 1.334(19) . ?
 C22 H22 0.9500 . ?
 C22 C21 1.385(16) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.407(18) . ?
 C91 H91 0.9500 . ?
 C91 C92 1.360(14) . ?
 C77 H77 0.9500 . ?
 C77 C76 1.412(15) . ?
 C61 H61 0.9500 . ?
 C61 C60 1.417(18) . ?
 C7 H7 0.9500 . ?
 C57 H57 0.9500 . ?
 C53 H53 0.9500 . ?
 C29 H29 0.9500 . ?
 C29 C28 1.329(19) . ?
 C92 H92 0.9500 . ?
 C96 H96A 0.9800 . ?
 C96 H96B 0.9800 . ?
 C96 H96C 0.9800 . ?
 C76 H76 0.9500 . ?
 C43 H43 0.9500 . ?
 C43 C44 1.398(17) . ?
 C12 H12 0.9500 . ?
 C12 C11 1.373(17) . ?
 C59 H59 0.9500 . ?
 C59 C60 1.333(18) . ?
 C21 H21 0.9500 . ?
 C38 H38 0.9500 . ?
 C80 H80A 0.9800 . ?
 C80 H80B 0.9800 . ?
 C80 H80C 0.9800 . ?
 C11 H11 0.9500 . ?
 C60 H60 0.9500 . ?
 C44 H44 0.9500 . ?
 C28 H28 0.9500 . ?
 C48 H48A 0.9800 . ?
 C48 H48B 0.9800 . ?
 C48 H48C 0.9800 . ?
 C32 H32A 0.9800 . ?
 C32 H32B 0.9800 . ?
 C32 H32C 0.9800 . ?
 O19 C97 1.430(11) . ?
 C97 H97A 0.9800 . ?
 C97 H97B 0.9800 . ?
 C97 H97C 0.9800 . ?
 O20 C98 1.394(14) . ?
 C98 H98A 0.9800 . ?
 C98 H98B 0.9800 . ?
 C98 H98C 0.9800 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 Co1 Dy1 Co3 117.39(2) . . ?
 Co2 Dy1 Co1 125.21(2) . . ?
 Co2 Dy1 Co3 117.41(2) . . ?
 O2 Dy1 Co1 35.36(13) . . ?
 O2 Dy1 Co2 122.42(13) . . ?
 O2 Dy1 Co3 107.57(12) . . ?
 O2 Dy1 O6 91.86(17) . . ?
 O2 Dy1 O4 92.05(18) . . ?
 O2 Dy1 O1 71.14(18) . . ?
 O3 Dy1 Co1 122.50(12) . . ?
 O3 Dy1 Co2 35.62(12) . . ?
 O3 Dy1 Co3 107.54(12) . . ?
 O3 Dy1 O2 144.89(16) . . ?
 O3 Dy1 O6 117.54(17) . . ?
 O3 Dy1 O4 71.23(18) . . ?
 O3 Dy1 O5 91.63(18) . . ?
 O3 Dy1 O1 92.10(18) . . ?
 O6 Dy1 Co1 119.90(12) . . ?
 O6 Dy1 Co2 104.68(12) . . ?
 O6 Dy1 Co3 35.05(12) . . ?
 O6 Dy1 O4 88.79(17) . . ?
 O6 Dy1 O1 143.05(17) . . ?
 O4 Dy1 Co1 111.88(12) . . ?
 O4 Dy1 Co2 35.65(13) . . ?
 O4 Dy1 Co3 118.46(12) . . ?
 O5 Dy1 Co1 104.90(12) . . ?
 O5 Dy1 Co2 119.85(12) . . ?
 O5 Dy1 Co3 35.05(13) . . ?
 O5 Dy1 O2 117.68(18) . . ?
 O5 Dy1 O6 70.10(17) . . ?
 O5 Dy1 O4 143.12(17) . . ?
 O5 Dy1 O1 88.67(18) . . ?
 O1 Dy1 Co1 35.80(13) . . ?
 O1 Dy1 Co2 112.16(12) . . ?
 O1 Dy1 Co3 118.23(12) . . ?
 O1 Dy1 O4 123.31(15) . . ?
 O2 Co1 Dy1 42.37(15) . . ?
 O2 Co1 O1 85.6(2) . . ?
 O1 Co1 Dy1 43.26(15) . . ?
 O7 Co1 Dy1 136.85(17) . . ?
 O7 Co1 O2 178.1(2) . . ?
 O7 Co1 O1 93.6(2) . . ?
 O7 Co1 O8 90.3(2) . . ?
 O7 Co1 N2 95.6(3) . . ?
 O7 Co1 N1 85.0(3) . . ?
 O8 Co1 Dy1 132.79(16) . . ?
 O8 Co1 O2 90.5(2) . . ?
 O8 Co1 O1 175.7(2) . . ?
 O8 Co1 N2 86.9(3) . . ?
 O8 Co1 N1 95.4(3) . . ?
 N2 Co1 Dy1 89.41(18) . . ?
 N2 Co1 O2 82.7(2) . . ?
 N2 Co1 O1 94.5(2) . . ?
 N1 Co1 Dy1 88.56(17) . . ?
 N1 Co1 O2 96.6(2) . . ?
 N1 Co1 O1 83.1(2) . . ?
 N1 Co1 N2 177.6(3) . . ?
 O3 Co2 Dy1 42.16(15) . . ?
 O4 Co2 Dy1 43.36(14) . . ?
 O4 Co2 O3 85.48(19) . . ?
 O11 Co2 Dy1 136.59(17) . . ?
 O11 Co2 O3 177.7(2) . . ?
 O11 Co2 O4 93.2(2) . . ?
 O11 Co2 N3 94.5(3) . . ?
 O11 Co2 N4 85.0(2) . . ?
 O12 Co2 Dy1 132.91(16) . . ?
 O12 Co2 O3 90.9(2) . . ?
 O12 Co2 O4 175.8(2) . . ?
 O12 Co2 O11 90.5(2) . . ?
 O12 Co2 N3 88.2(3) . . ?
 O12 Co2 N4 95.1(3) . . ?
 N3 Co2 Dy1 89.50(18) . . ?
 N3 Co2 O3 83.7(2) . . ?
 N3 Co2 O4 93.4(2) . . ?
 N4 Co2 Dy1 88.68(17) . . ?
 N4 Co2 O3 96.8(2) . . ?
 N4 Co2 O4 83.4(2) . . ?
 N4 Co2 N3 176.7(3) . . ?
 O6 Co3 Dy1 42.36(15) . . ?
 O6 Co3 O5 84.23(19) . . ?
 O5 Co3 Dy1 41.87(15) . . ?
 O16 Co3 Dy1 134.71(18) . . ?
 O16 Co3 O6 176.1(2) . . ?
 O16 Co3 O5 92.9(2) . . ?
 O16 Co3 O15 90.7(2) . . ?
 O16 Co3 N5 87.1(2) . . ?
 O16 Co3 N6 94.7(2) . . ?
 O15 Co3 Dy1 134.58(18) . . ?
 O15 Co3 O6 92.3(2) . . ?
 O15 Co3 O5 175.5(2) . . ?
 O15 Co3 N5 95.2(2) . . ?
 O15 Co3 N6 86.7(2) . . ?
 N5 Co3 Dy1 88.48(17) . . ?
 N5 Co3 O6 95.2(2) . . ?
 N5 Co3 O5 82.4(2) . . ?
 N5 Co3 N6 177.4(2) . . ?
 N6 Co3 Dy1 88.90(17) . . ?
 N6 Co3 O6 82.9(2) . . ?
 N6 Co3 O5 95.6(2) . . ?
 Co1 O2 Dy1 102.3(2) . . ?
 C17 O2 Dy1 123.4(4) . . ?
 C17 O2 Co1 108.1(4) . . ?
 Co2 O3 Dy1 102.2(2) . . ?
 C33 O3 Dy1 123.5(4) . . ?
 C33 O3 Co2 107.2(4) . . ?
 Co3 O6 Dy1 102.6(2) . . ?
 C81 O6 Dy1 122.1(4) . . ?
 C81 O6 Co3 108.8(4) . . ?
 Co2 O4 Dy1 101.0(2) . . ?
 C49 O4 Dy1 122.8(4) . . ?
 C49 O4 Co2 107.0(4) . . ?
 C14 O9 C16 116.4(9) . . ?
 Co3 O5 Dy1 103.1(2) . . ?
 C65 O5 Dy1 122.6(4) . . ?
 C65 O5 Co3 108.4(4) . . ?
 Co1 O1 Dy1 100.9(2) . . ?
 C1 O1 Dy1 123.3(4) . . ?
 C1 O1 Co1 107.0(4) . . ?
 C47 O11 Co2 124.0(6) . . ?
 C31 O7 Co1 123.3(5) . . ?
 C15 O8 Co1 124.5(5) . . ?
 C63 O12 Co2 126.1(5) . . ?
 C95 O16 Co3 124.6(5) . . ?
 C62 O13 C64 117.0(8) . . ?
 C79 O15 Co3 124.1(5) . . ?
 C34 N3 Co2 113.4(4) . . ?
 C41 N3 Co2 125.5(6) . . ?
 C41 N3 C34 121.0(7) . . ?
 C18 N2 Co1 115.6(5) . . ?
 C25 N2 Co1 123.7(6) . . ?
 C25 N2 C18 120.4(7) . . ?
 C78 O18 C80 117.5(8) . . ?
 C94 O17 C96 116.7(8) . . ?
 C66 N5 Co3 115.8(4) . . ?
 C73 N5 Co3 125.5(6) . . ?
 C73 N5 C66 118.6(6) . . ?
 C46 O14 C48 114.6(10) . . ?
 C82 N6 Co3 115.5(4) . . ?
 C89 N6 Co3 126.4(6) . . ?
 C89 N6 C82 118.1(6) . . ?
 O3 C33 H33A 109.9 . . ?
 O3 C33 H33B 109.9 . . ?
 O3 C33 C34 109.1(6) . . ?
 H33A C33 H33B 108.3 . . ?
 C34 C33 H33A 109.9 . . ?
 C34 C33 H33B 109.9 . . ?
 O1 C1 H1A 109.9 . . ?
 O1 C1 H1B 109.9 . . ?
 O1 C1 C2 109.1(6) . . ?
 H1A C1 H1B 108.3 . . ?
 C2 C1 H1A 109.9 . . ?
 C2 C1 H1B 109.9 . . ?
 C2 N1 Co1 115.1(5) . . ?
 C9 N1 Co1 124.3(6) . . ?
 C9 N1 C2 120.4(7) . . ?
 C4 C3 C2 118.4(8) . . ?
 C8 C3 C2 122.2(8) . . ?
 C8 C3 C4 119.1(8) . . ?
 C51 C50 H50 107.4 . . ?
 C51 C50 C49 111.5(6) . . ?
 C49 C50 H50 107.4 . . ?
 N4 C50 H50 107.4 . . ?
 N4 C50 C51 117.8(6) . . ?
 N4 C50 C49 104.9(6) . . ?
 C52 C51 C50 119.2(8) . . ?
 C52 C51 C56 118.9(8) . . ?
 C56 C51 C50 121.7(8) . . ?
 C72 C67 C66 119.5(7) . . ?
 C68 C67 C66 121.7(8) . . ?
 C68 C67 C72 118.8(8) . . ?
 N6 C82 H82 108.1 . . ?
 N6 C82 C83 114.9(6) . . ?
 N6 C82 C81 105.0(6) . . ?
 C83 C82 H82 108.1 . . ?
 C83 C82 C81 112.3(6) . . ?
 C81 C82 H82 108.1 . . ?
 O4 C49 C50 109.1(6) . . ?
 O4 C49 H49A 109.9 . . ?
 O4 C49 H49B 109.9 . . ?
 C50 C49 H49A 109.9 . . ?
 C50 C49 H49B 109.9 . . ?
 H49A C49 H49B 108.3 . . ?
 N3 C34 C33 106.5(6) . . ?
 N3 C34 H34 107.7 . . ?
 N3 C34 C35 113.5(6) . . ?
 C33 C34 H34 107.7 . . ?
 C35 C34 C33 113.4(7) . . ?
 C35 C34 H34 107.7 . . ?
 O2 C17 H17A 110.2 . . ?
 O2 C17 H17B 110.2 . . ?
 O2 C17 C18 107.3(7) . . ?
 H17A C17 H17B 108.5 . . ?
 C18 C17 H17A 110.2 . . ?
 C18 C17 H17B 110.2 . . ?
 C88 C83 C82 121.3(8) . . ?
 C84 C83 C82 121.3(8) . . ?
 C84 C83 C88 117.3(8) . . ?
 C32 O10 C30 113.7(10) . . ?
 O16 C95 C90 124.5(7) . . ?
 O16 C95 C94 117.6(8) . . ?
 C94 C95 C90 117.7(8) . . ?
 N5 C66 C67 116.4(6) . . ?
 N5 C66 H66 107.5 . . ?
 N5 C66 C65 106.1(6) . . ?
 C67 C66 H66 107.5 . . ?
 C67 C66 C65 111.5(6) . . ?
 C65 C66 H66 107.5 . . ?
 O6 C81 C82 108.2(6) . . ?
 O6 C81 H81A 110.1 . . ?
 O6 C81 H81B 110.1 . . ?
 C82 C81 H81A 110.1 . . ?
 C82 C81 H81B 110.1 . . ?
 H81A C81 H81B 108.4 . . ?
 N2 C18 C17 105.7(6) . . ?
 N2 C18 H18 108.6 . . ?
 N2 C18 C19 113.3(6) . . ?
 C17 C18 H18 108.6 . . ?
 C19 C18 C17 111.9(7) . . ?
 C19 C18 H18 108.6 . . ?
 O5 C65 C66 107.4(6) . . ?
 O5 C65 H65A 110.2 . . ?
 O5 C65 H65B 110.2 . . ?
 C66 C65 H65A 110.2 . . ?
 C66 C65 H65B 110.2 . . ?
 H65A C65 H65B 108.5 . . ?
 C35 C40 H40 120.4 . . ?
 C39 C40 H40 120.4 . . ?
 C39 C40 C35 119.1(9) . . ?
 C50 N4 Co2 115.8(4) . . ?
 C57 N4 Co2 125.4(6) . . ?
 C57 N4 C50 118.8(6) . . ?
 O15 C79 C74 125.2(7) . . ?
 O15 C79 C78 116.8(8) . . ?
 C78 C79 C74 117.9(7) . . ?
 C1 C2 H2 107.7 . . ?
 N1 C2 C1 105.2(6) . . ?
 N1 C2 C3 116.8(6) . . ?
 N1 C2 H2 107.7 . . ?
 C3 C2 C1 111.4(6) . . ?
 C3 C2 H2 107.7 . . ?
 N6 C89 H89 117.7 . . ?
 N6 C89 C90 124.6(7) . . ?
 C90 C89 H89 117.7 . . ?
 C79 C74 C73 122.2(7) . . ?
 C79 C74 C75 120.3(8) . . ?
 C75 C74 C73 117.5(8) . . ?
 N5 C73 C74 125.7(8) . . ?
 N5 C73 H73 117.2 . . ?
 C74 C73 H73 117.2 . . ?
 C24 C19 C18 120.5(8) . . ?
 C20 C19 C18 120.2(8) . . ?
 C20 C19 C24 119.3(8) . . ?
 C95 C90 C89 123.0(7) . . ?
 C91 C90 C95 120.1(8) . . ?
 C91 C90 C89 116.9(8) . . ?
 C19 C24 H24 120.4 . . ?
 C19 C24 C23 119.1(9) . . ?
 C23 C24 H24 120.4 . . ?
 C40 C35 C34 120.4(7) . . ?
 C40 C35 C36 119.2(8) . . ?
 C36 C35 C34 120.4(8) . . ?
 C83 C88 H88 119.3 . . ?
 C83 C88 C87 121.5(9) . . ?
 C87 C88 H88 119.3 . . ?
 O7 C31 C26 126.6(8) . . ?
 O7 C31 C30 118.3(10) . . ?
 C26 C31 C30 115.2(9) . . ?
 O11 C47 C46 118.3(10) . . ?
 O11 C47 C42 125.8(8) . . ?
 C42 C47 C46 115.8(9) . . ?
 O13 C62 C63 113.5(8) . . ?
 O13 C62 C61 124.6(10) . . ?
 C61 C62 C63 121.8(10) . . ?
 O18 C78 C79 114.6(8) . . ?
 C77 C78 O18 124.4(9) . . ?
 C77 C78 C79 121.0(9) . . ?
 C24 C23 H23 119.1 . . ?
 C22 C23 C24 121.7(10) . . ?
 C22 C23 H23 119.1 . . ?
 O8 C15 C14 117.0(9) . . ?
 O8 C15 C10 125.2(8) . . ?
 C10 C15 C14 117.8(8) . . ?
 C40 C39 H39 118.3 . . ?
 C38 C39 C40 123.3(10) . . ?
 C38 C39 H39 118.3 . . ?
 O12 C63 C62 118.7(9) . . ?
 O12 C63 C58 123.9(8) . . ?
 C58 C63 C62 117.4(8) . . ?
 O9 C14 C15 113.7(8) . . ?
 C13 C14 O9 123.8(9) . . ?
 C13 C14 C15 122.5(10) . . ?
 O14 C46 C47 118.7(10) . . ?
 O14 C46 C45 119.2(10) . . ?
 C45 C46 C47 122.0(12) . . ?
 O17 C94 C95 114.1(8) . . ?
 O17 C94 C93 124.9(9) . . ?
 C93 C94 C95 121.0(9) . . ?
 C51 C52 H52 119.1 . . ?
 C51 C52 C53 121.7(10) . . ?
 C53 C52 H52 119.1 . . ?
 C67 C72 H72 119.8 . . ?
 C71 C72 C67 120.4(10) . . ?
 C71 C72 H72 119.8 . . ?
 C3 C4 H4 120.1 . . ?
 C5 C4 C3 119.7(10) . . ?
 C5 C4 H4 120.1 . . ?
 N2 C25 H25 117.4 . . ?
 N2 C25 C26 125.2(8) . . ?
 C26 C25 H25 117.4 . . ?
 C83 C84 H84 118.6 . . ?
 C83 C84 C85 122.7(10) . . ?
 C85 C84 H84 118.6 . . ?
 C4 C5 H5 119.4 . . ?
 C6 C5 C4 121.3(11) . . ?
 C6 C5 H5 119.4 . . ?
 C88 C87 H87 120.7 . . ?
 C86 C87 C88 118.5(10) . . ?
 C86 C87 H87 120.7 . . ?
 C31 C26 C25 121.8(8) . . ?
 C31 C26 C27 121.2(10) . . ?
 C27 C26 C25 116.9(10) . . ?
 O10 C30 C31 117.9(10) . . ?
 C29 C30 O10 118.9(11) . . ?
 C29 C30 C31 123.2(12) . . ?
 C19 C20 H20 119.8 . . ?
 C19 C20 C21 120.4(10) . . ?
 C21 C20 H20 119.8 . . ?
 C51 C56 H56 119.7 . . ?
 C55 C56 C51 120.7(11) . . ?
 C55 C56 H56 119.7 . . ?
 C67 C68 H68 120.7 . . ?
 C67 C68 C69 118.6(9) . . ?
 C69 C68 H68 120.7 . . ?
 C72 C71 H71 119.9 . . ?
 C70 C71 C72 120.3(10) . . ?
 C70 C71 H71 119.9 . . ?
 N3 C41 H41 117.6 . . ?
 N3 C41 C42 124.8(8) . . ?
 C42 C41 H41 117.6 . . ?
 C3 C8 H8 120.0 . . ?
 C7 C8 C3 120.0(11) . . ?
 C7 C8 H8 120.0 . . ?
 C68 C69 H69 118.8 . . ?
 C70 C69 C68 122.4(10) . . ?
 C70 C69 H69 118.8 . . ?
 C87 C86 H86 119.2 . . ?
 C85 C86 C87 121.6(10) . . ?
 C85 C86 H86 119.2 . . ?
 C55 C54 H54 119.8 . . ?
 C53 C54 H54 119.8 . . ?
 C53 C54 C55 120.3(10) . . ?
 C74 C75 H75 119.8 . . ?
 C76 C75 C74 120.3(9) . . ?
 C76 C75 H75 119.8 . . ?
 C57 C58 C63 123.9(8) . . ?
 C59 C58 C63 117.8(9) . . ?
 C59 C58 C57 118.3(10) . . ?
 C15 C10 C9 123.8(8) . . ?
 C15 C10 C11 119.3(9) . . ?
 C9 C10 C11 116.9(9) . . ?
 C56 C55 C54 119.1(10) . . ?
 C56 C55 H55 120.4 . . ?
 C54 C55 H55 120.4 . . ?
 C71 C70 H70 120.2 . . ?
 C69 C70 C71 119.5(10) . . ?
 C69 C70 H70 120.2 . . ?
 C14 C13 H13 120.7 . . ?
 C14 C13 C12 118.5(11) . . ?
 C12 C13 H13 120.7 . . ?
 C47 C42 C41 121.7(8) . . ?
 C43 C42 C47 120.4(10) . . ?
 C43 C42 C41 117.9(10) . . ?
 C35 C36 H36 120.3 . . ?
 C35 C36 C37 119.4(10) . . ?
 C37 C36 H36 120.3 . . ?
 C36 C37 H37 119.5 . . ?
 C38 C37 C36 120.9(10) . . ?
 C38 C37 H37 119.5 . . ?
 N1 C9 C10 125.1(8) . . ?
 N1 C9 H9 117.4 . . ?
 C10 C9 H9 117.4 . . ?
 O9 C16 H16A 109.5 . . ?
 O9 C16 H16B 109.5 . . ?
 O9 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 C5 C6 H6 120.9 . . ?
 C7 C6 C5 118.2(10) . . ?
 C7 C6 H6 120.9 . . ?
 C84 C85 H85 120.8 . . ?
 C86 C85 C84 118.4(10) . . ?
 C86 C85 H85 120.8 . . ?
 O13 C64 H64A 109.5 . . ?
 O13 C64 H64B 109.5 . . ?
 O13 C64 H64C 109.5 . . ?
 H64A C64 H64B 109.5 . . ?
 H64A C64 H64C 109.5 . . ?
 H64B C64 H64C 109.5 . . ?
 C94 C93 H93 119.7 . . ?
 C94 C93 C92 120.6(10) . . ?
 C92 C93 H93 119.7 . . ?
 C46 C45 H45 119.7 . . ?
 C44 C45 C46 120.6(11) . . ?
 C44 C45 H45 119.7 . . ?
 C23 C22 H22 120.6 . . ?
 C23 C22 C21 118.8(10) . . ?
 C21 C22 H22 120.6 . . ?
 C26 C27 H27 120.7 . . ?
 C26 C27 C28 118.7(12) . . ?
 C28 C27 H27 120.7 . . ?
 C90 C91 H91 120.0 . . ?
 C92 C91 C90 119.9(9) . . ?
 C92 C91 H91 120.0 . . ?
 C78 C77 H77 119.3 . . ?
 C78 C77 C76 121.3(10) . . ?
 C76 C77 H77 119.3 . . ?
 C62 C61 H61 120.0 . . ?
 C62 C61 C60 120.0(11) . . ?
 C60 C61 H61 120.0 . . ?
 C8 C7 H7 119.2 . . ?
 C6 C7 C8 121.7(11) . . ?
 C6 C7 H7 119.2 . . ?
 N4 C57 C58 123.7(8) . . ?
 N4 C57 H57 118.1 . . ?
 C58 C57 H57 118.1 . . ?
 C52 C53 H53 120.3 . . ?
 C54 C53 C52 119.3(12) . . ?
 C54 C53 H53 120.3 . . ?
 C30 C29 H29 119.5 . . ?
 C28 C29 C30 121.0(12) . . ?
 C28 C29 H29 119.5 . . ?
 C93 C92 H92 119.7 . . ?
 C91 C92 C93 120.6(9) . . ?
 C91 C92 H92 119.7 . . ?
 O17 C96 H96A 109.5 . . ?
 O17 C96 H96B 109.5 . . ?
 O17 C96 H96C 109.5 . . ?
 H96A C96 H96B 109.5 . . ?
 H96A C96 H96C 109.5 . . ?
 H96B C96 H96C 109.5 . . ?
 C75 C76 C77 119.1(9) . . ?
 C75 C76 H76 120.5 . . ?
 C77 C76 H76 120.5 . . ?
 C42 C43 H43 120.3 . . ?
 C44 C43 C42 119.4(12) . . ?
 C44 C43 H43 120.3 . . ?
 C13 C12 H12 119.6 . . ?
 C11 C12 C13 120.8(12) . . ?
 C11 C12 H12 119.6 . . ?
 C58 C59 H59 118.3 . . ?
 C60 C59 C58 123.3(13) . . ?
 C60 C59 H59 118.3 . . ?
 C20 C21 H21 119.7 . . ?
 C22 C21 C20 120.5(11) . . ?
 C22 C21 H21 119.7 . . ?
 C39 C38 C37 118.0(10) . . ?
 C39 C38 H38 121.0 . . ?
 C37 C38 H38 121.0 . . ?
 O18 C80 H80A 109.5 . . ?
 O18 C80 H80B 109.5 . . ?
 O18 C80 H80C 109.5 . . ?
 H80A C80 H80B 109.5 . . ?
 H80A C80 H80C 109.5 . . ?
 H80B C80 H80C 109.5 . . ?
 C10 C11 H11 119.5 . . ?
 C12 C11 C10 121.0(12) . . ?
 C12 C11 H11 119.5 . . ?
 C61 C60 H60 120.2 . . ?
 C59 C60 C61 119.6(11) . . ?
 C59 C60 H60 120.2 . . ?
 C45 C44 C43 121.8(11) . . ?
 C45 C44 H44 119.1 . . ?
 C43 C44 H44 119.1 . . ?
 C27 C28 H28 119.7 . . ?
 C29 C28 C27 120.6(12) . . ?
 C29 C28 H28 119.7 . . ?
 O14 C48 H48A 109.5 . . ?
 O14 C48 H48B 109.5 . . ?
 O14 C48 H48C 109.5 . . ?
 H48A C48 H48B 109.5 . . ?
 H48A C48 H48C 109.5 . . ?
 H48B C48 H48C 109.5 . . ?
 O10 C32 H32A 109.5 . . ?
 O10 C32 H32B 109.5 . . ?
 O10 C32 H32C 109.5 . . ?
 H32A C32 H32B 109.5 . . ?
 H32A C32 H32C 109.5 . . ?
 H32B C32 H32C 109.5 . . ?
 O19 C97 H97A 109.5 . . ?
 O19 C97 H97B 109.5 . . ?
 O19 C97 H97C 109.5 . . ?
 H97A C97 H97B 109.5 . . ?
 H97A C97 H97C 109.5 . . ?
 H97B C97 H97C 109.5 . . ?
 O20 C98 H98A 109.5 . . ?
 O20 C98 H98B 109.5 . . ?
 O20 C98 H98C 109.5 . . ?
 H98A C98 H98B 109.5 . . ?
 H98A C98 H98C 109.5 . . ?
 H98B C98 H98C 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Dy1 Co1 O7 C31 74.2(7) . . . . ?
 Dy1 Co1 O8 C15 79.3(7) . . . . ?
 Dy1 Co1 N1 C2 56.2(5) . . . . ?
 Dy1 Co1 N1 C9 -127.5(7) . . . . ?
 Dy1 Co2 O11 C47 73.2(7) . . . . ?
 Dy1 Co2 O12 C63 78.2(7) . . . . ?
 Dy1 Co2 N4 C50 56.3(4) . . . . ?
 Dy1 Co2 N4 C57 -127.6(7) . . . . ?
 Dy1 Co3 O16 C95 76.8(7) . . . . ?
 Dy1 Co3 O15 C79 77.0(6) . . . . ?
 Dy1 O2 C17 C18 -69.6(6) . . . . ?
 Dy1 O3 C33 C34 -69.2(6) . . . . ?
 Dy1 O6 C81 C82 -70.4(6) . . . . ?
 Dy1 O4 C49 C50 -67.0(7) . . . . ?
 Dy1 O5 C65 C66 -71.2(7) . . . . ?
 Dy1 O1 C1 C2 -66.7(7) . . . . ?
 Co1 O2 C17 C18 49.2(6) . . . . ?
 Co1 O1 C1 C2 49.3(6) . . . . ?
 Co1 O7 C31 C26 16.0(12) . . . . ?
 Co1 O7 C31 C30 -164.9(6) . . . . ?
 Co1 O8 C15 C14 -165.0(6) . . . . ?
 Co1 O8 C15 C10 14.7(12) . . . . ?
 Co1 N2 C18 C17 11.9(8) . . . . ?
 Co1 N2 C18 C19 134.8(6) . . . . ?
 Co1 N2 C25 C26 -5.7(11) . . . . ?
 Co1 N1 C2 C1 9.8(7) . . . . ?
 Co1 N1 C2 C3 134.0(6) . . . . ?
 Co1 N1 C9 C10 2.7(13) . . . . ?
 Co2 O3 C33 C34 48.9(6) . . . . ?
 Co2 O4 C49 C50 48.7(6) . . . . ?
 Co2 O11 C47 C46 -165.5(6) . . . . ?
 Co2 O11 C47 C42 16.4(11) . . . . ?
 Co2 O12 C63 C62 -165.4(6) . . . . ?
 Co2 O12 C63 C58 14.5(12) . . . . ?
 Co2 N3 C34 C33 9.3(7) . . . . ?
 Co2 N3 C34 C35 134.8(6) . . . . ?
 Co2 N3 C41 C42 -1.9(12) . . . . ?
 Co2 N4 C57 C58 4.4(12) . . . . ?
 Co3 O6 C81 C82 48.6(6) . . . . ?
 Co3 O5 C65 C66 48.5(6) . . . . ?
 Co3 O16 C95 C90 15.4(11) . . . . ?
 Co3 O16 C95 C94 -168.4(6) . . . . ?
 Co3 O15 C79 C74 14.7(11) . . . . ?
 Co3 O15 C79 C78 -169.2(6) . . . . ?
 Co3 N5 C66 C67 134.1(6) . . . . ?
 Co3 N5 C66 C65 9.4(7) . . . . ?
 Co3 N5 C73 C74 1.0(11) . . . . ?
 Co3 N6 C82 C83 134.1(5) . . . . ?
 Co3 N6 C82 C81 10.3(7) . . . . ?
 Co3 N6 C89 C90 -1.2(10) . . . . ?
 O2 Co1 O8 C15 82.9(6) . . . . ?
 O2 Co1 N1 C2 97.9(5) . . . . ?
 O2 Co1 N1 C9 -85.8(7) . . . . ?
 O2 C17 C18 N2 -38.7(7) . . . . ?
 O2 C17 C18 C19 -162.5(6) . . . . ?
 O3 Co2 O12 C63 82.1(7) . . . . ?
 O3 Co2 N4 C50 97.8(5) . . . . ?
 O3 Co2 N4 C57 -86.1(7) . . . . ?
 O3 C33 C34 N3 -37.6(8) . . . . ?
 O3 C33 C34 C35 -163.1(6) . . . . ?
 O6 Co3 O15 C79 79.4(6) . . . . ?
 O4 Co2 O11 C47 72.9(6) . . . . ?
 O4 Co2 N4 C50 13.2(5) . . . . ?
 O4 Co2 N4 C57 -170.8(7) . . . . ?
 O9 C14 C13 C12 -179.1(12) . . . . ?
 O5 Co3 O16 C95 79.5(6) . . . . ?
 O1 Co1 O7 C31 74.0(6) . . . . ?
 O1 Co1 N1 C2 13.1(5) . . . . ?
 O1 Co1 N1 C9 -170.5(7) . . . . ?
 O1 C1 C2 N1 -38.1(7) . . . . ?
 O1 C1 C2 C3 -165.6(6) . . . . ?
 O11 Co2 O12 C63 -99.7(7) . . . . ?
 O11 Co2 N4 C50 -80.7(5) . . . . ?
 O11 Co2 N4 C57 95.4(7) . . . . ?
 O11 C47 C46 O14 2.5(13) . . . . ?
 O11 C47 C46 C45 179.2(10) . . . . ?
 O11 C47 C42 C41 1.5(14) . . . . ?
 O11 C47 C42 C43 178.6(9) . . . . ?
 O7 Co1 O8 C15 -98.8(6) . . . . ?
 O7 Co1 N1 C2 -81.1(5) . . . . ?
 O7 Co1 N1 C9 95.2(7) . . . . ?
 O7 C31 C26 C25 0.6(14) . . . . ?
 O7 C31 C26 C27 -179.9(9) . . . . ?
 O7 C31 C30 O10 1.7(13) . . . . ?
 O7 C31 C30 C29 178.4(10) . . . . ?
 O8 Co1 O7 C31 -107.9(6) . . . . ?
 O8 Co1 N1 C2 -171.0(5) . . . . ?
 O8 Co1 N1 C9 5.4(7) . . . . ?
 O8 C15 C14 O9 -0.3(11) . . . . ?
 O8 C15 C14 C13 -178.9(10) . . . . ?
 O8 C15 C10 C9 -3.8(16) . . . . ?
 O8 C15 C10 C11 177.9(11) . . . . ?
 O12 Co2 O11 C47 -109.0(6) . . . . ?
 O12 Co2 N4 C50 -170.7(5) . . . . ?
 O12 Co2 N4 C57 5.4(7) . . . . ?
 O12 C63 C58 C57 -1.2(15) . . . . ?
 O12 C63 C58 C59 177.8(11) . . . . ?
 O16 Co3 O15 C79 -103.1(6) . . . . ?
 O16 C95 C90 C89 -2.8(12) . . . . ?
 O16 C95 C90 C91 176.5(8) . . . . ?
 O16 C95 C94 O17 3.0(12) . . . . ?
 O16 C95 C94 C93 -175.5(9) . . . . ?
 O13 C62 C63 O12 2.0(12) . . . . ?
 O13 C62 C63 C58 -177.9(8) . . . . ?
 O13 C62 C61 C60 179.8(13) . . . . ?
 O15 Co3 O16 C95 -103.1(6) . . . . ?
 O15 C79 C74 C73 -1.4(12) . . . . ?
 O15 C79 C74 C75 176.0(8) . . . . ?
 O15 C79 C78 O18 3.1(12) . . . . ?
 O15 C79 C78 C77 -176.1(9) . . . . ?
 N3 Co2 O11 C47 -20.8(6) . . . . ?
 N3 Co2 O12 C63 165.8(7) . . . . ?
 N3 C34 C35 C40 -53.4(11) . . . . ?
 N3 C34 C35 C36 127.2(10) . . . . ?
 N3 C41 C42 C47 -9.3(14) . . . . ?
 N3 C41 C42 C43 173.5(9) . . . . ?
 N2 Co1 O7 C31 -21.0(6) . . . . ?
 N2 Co1 O8 C15 165.6(7) . . . . ?
 N2 C18 C19 C24 -51.2(11) . . . . ?
 N2 C18 C19 C20 129.9(10) . . . . ?
 N2 C25 C26 C31 -6.2(13) . . . . ?
 N2 C25 C26 C27 174.3(9) . . . . ?
 O18 C78 C77 C76 -178.2(10) . . . . ?
 O17 C94 C93 C92 -179.4(10) . . . . ?
 N5 Co3 O16 C95 161.7(6) . . . . ?
 N5 Co3 O15 C79 -16.0(6) . . . . ?
 N5 C66 C65 O5 -36.8(8) . . . . ?
 O14 C46 C45 C44 179.1(12) . . . . ?
 N6 Co3 O16 C95 -16.4(6) . . . . ?
 N6 Co3 O15 C79 162.2(6) . . . . ?
 N6 C82 C83 C88 129.4(8) . . . . ?
 N6 C82 C83 C84 -53.5(10) . . . . ?
 N6 C82 C81 O6 -37.1(7) . . . . ?
 N6 C89 C90 C95 -4.9(12) . . . . ?
 N6 C89 C90 C91 175.8(7) . . . . ?
 C33 C34 C35 C40 68.4(11) . . . . ?
 C33 C34 C35 C36 -111.1(11) . . . . ?
 N1 Co1 O7 C31 156.7(6) . . . . ?
 N1 Co1 O8 C15 -13.7(7) . . . . ?
 C3 C4 C5 C6 -1.0(19) . . . . ?
 C3 C8 C7 C6 2.7(18) . . . . ?
 C50 C51 C52 C53 173.4(10) . . . . ?
 C50 C51 C56 C55 -173.8(9) . . . . ?
 C50 N4 C57 C58 -179.7(8) . . . . ?
 C51 C50 C49 O4 -166.0(6) . . . . ?
 C51 C50 N4 Co2 134.3(6) . . . . ?
 C51 C50 N4 C57 -42.0(10) . . . . ?
 C51 C52 C53 C54 1(2) . . . . ?
 C51 C56 C55 C54 0.6(17) . . . . ?
 C67 C66 C65 O5 -164.5(6) . . . . ?
 C67 C72 C71 C70 2.1(15) . . . . ?
 C67 C68 C69 C70 1.6(14) . . . . ?
 C82 N6 C89 C90 179.3(7) . . . . ?
 C82 C83 C88 C87 176.1(8) . . . . ?
 C82 C83 C84 C85 -176.5(9) . . . . ?
 C49 C50 C51 C52 -93.0(9) . . . . ?
 C49 C50 C51 C56 80.7(10) . . . . ?
 C49 C50 N4 Co2 9.7(7) . . . . ?
 C49 C50 N4 C57 -166.6(7) . . . . ?
 C34 N3 C41 C42 -179.8(8) . . . . ?
 C34 C35 C36 C37 -178.4(11) . . . . ?
 C17 C18 C19 C24 68.2(10) . . . . ?
 C17 C18 C19 C20 -110.7(10) . . . . ?
 C83 C82 C81 O6 -162.6(6) . . . . ?
 C83 C88 C87 C86 0.8(14) . . . . ?
 C83 C84 C85 C86 0.1(16) . . . . ?
 O10 C30 C29 C28 177.4(12) . . . . ?
 C95 C90 C91 C92 -1.5(14) . . . . ?
 C95 C94 C93 C92 -1.1(17) . . . . ?
 C66 N5 C73 C74 179.9(7) . . . . ?
 C66 C67 C72 C71 -178.9(8) . . . . ?
 C66 C67 C68 C69 177.1(8) . . . . ?
 C81 C82 C83 C88 -110.7(8) . . . . ?
 C81 C82 C83 C84 66.3(10) . . . . ?
 C18 N2 C25 C26 180.0(8) . . . . ?
 C18 C19 C24 C23 179.1(9) . . . . ?
 C18 C19 C20 C21 -179.1(11) . . . . ?
 C40 C35 C36 C37 2.2(18) . . . . ?
 C40 C39 C38 C37 -0.9(19) . . . . ?
 N4 Co2 O11 C47 156.0(6) . . . . ?
 N4 Co2 O12 C63 -14.7(7) . . . . ?
 N4 C50 C51 C52 145.7(8) . . . . ?
 N4 C50 C51 C56 -40.6(11) . . . . ?
 N4 C50 C49 O4 -37.5(7) . . . . ?
 C79 C74 C73 N5 -7.2(12) . . . . ?
 C79 C74 C75 C76 -1.3(13) . . . . ?
 C79 C78 C77 C76 1.0(16) . . . . ?
 C2 N1 C9 C10 178.8(8) . . . . ?
 C2 C3 C4 C5 173.3(10) . . . . ?
 C2 C3 C8 C7 -173.8(9) . . . . ?
 C89 N6 C82 C83 -46.3(9) . . . . ?
 C89 N6 C82 C81 -170.1(6) . . . . ?
 C89 C90 C91 C92 177.8(9) . . . . ?
 C74 C79 C78 O18 179.5(7) . . . . ?
 C74 C79 C78 C77 0.3(14) . . . . ?
 C74 C75 C76 C77 2.6(16) . . . . ?
 C73 N5 C66 C67 -44.9(9) . . . . ?
 C73 N5 C66 C65 -169.6(6) . . . . ?
 C73 C74 C75 C76 176.1(9) . . . . ?
 C19 C24 C23 C22 -0.3(17) . . . . ?
 C19 C20 C21 C22 0(2) . . . . ?
 C90 C95 C94 O17 179.4(8) . . . . ?
 C90 C95 C94 C93 0.9(14) . . . . ?
 C90 C91 C92 C93 1.4(17) . . . . ?
 C24 C19 C20 C21 2.0(18) . . . . ?
 C24 C23 C22 C21 2.7(19) . . . . ?
 C35 C40 C39 C38 1.5(18) . . . . ?
 C35 C36 C37 C38 -2(2) . . . . ?
 C88 C83 C84 C85 0.7(14) . . . . ?
 C88 C87 C86 C85 0.0(15) . . . . ?
 C31 C26 C27 C28 1.9(16) . . . . ?
 C31 C30 C29 C28 1(2) . . . . ?
 C47 C46 C45 C44 2(2) . . . . ?
 C47 C42 C43 C44 1.7(17) . . . . ?
 C62 C63 C58 C57 178.7(9) . . . . ?
 C62 C63 C58 C59 -2.3(15) . . . . ?
 C62 C61 C60 C59 -2(3) . . . . ?
 C78 C79 C74 C73 -177.5(8) . . . . ?
 C78 C79 C74 C75 -0.1(12) . . . . ?
 C78 C77 C76 C75 -2.4(17) . . . . ?
 C23 C22 C21 C20 -3(2) . . . . ?
 C15 C14 C13 C12 -0.6(19) . . . . ?
 C15 C10 C9 N1 -5.7(16) . . . . ?
 C15 C10 C11 C12 3(2) . . . . ?
 C39 C40 C35 C34 178.5(9) . . . . ?
 C39 C40 C35 C36 -2.1(16) . . . . ?
 C63 C62 C61 C60 2(2) . . . . ?
 C63 C58 C57 N4 -8.8(15) . . . . ?
 C63 C58 C59 C60 3(2) . . . . ?
 C14 C15 C10 C9 175.9(9) . . . . ?
 C14 C15 C10 C11 -2.4(15) . . . . ?
 C14 C13 C12 C11 1(3) . . . . ?
 C46 C47 C42 C41 -176.7(8) . . . . ?
 C46 C47 C42 C43 0.4(13) . . . . ?
 C46 C45 C44 C43 0(2) . . . . ?
 C94 C95 C90 C89 -178.9(8) . . . . ?
 C94 C95 C90 C91 0.4(12) . . . . ?
 C94 C93 C92 C91 -0.1(18) . . . . ?
 C52 C51 C56 C55 0.0(15) . . . . ?
 C72 C67 C66 N5 -53.5(10) . . . . ?
 C72 C67 C66 C65 68.4(9) . . . . ?
 C72 C67 C68 C69 -1.5(13) . . . . ?
 C72 C71 C70 C69 -2.1(16) . . . . ?
 C4 C3 C2 C1 -93.4(9) . . . . ?
 C4 C3 C2 N1 145.7(8) . . . . ?
 C4 C3 C8 C7 -0.8(15) . . . . ?
 C4 C5 C6 C7 3(2) . . . . ?
 C25 N2 C18 C17 -173.3(7) . . . . ?
 C25 N2 C18 C19 -50.3(10) . . . . ?
 C25 C26 C27 C28 -178.5(10) . . . . ?
 C84 C83 C88 C87 -1.1(13) . . . . ?
 C5 C6 C7 C8 -4(2) . . . . ?
 C87 C86 C85 C84 -0.4(16) . . . . ?
 C26 C31 C30 O10 -179.1(9) . . . . ?
 C26 C31 C30 C29 -2.3(15) . . . . ?
 C26 C27 C28 C29 -4(2) . . . . ?
 C30 C31 C26 C25 -178.6(8) . . . . ?
 C30 C31 C26 C27 0.9(13) . . . . ?
 C30 C29 C28 C27 2(2) . . . . ?
 C20 C19 C24 C23 -2.1(15) . . . . ?
 C56 C51 C52 C53 -0.5(16) . . . . ?
 C68 C67 C66 N5 128.0(8) . . . . ?
 C68 C67 C66 C65 -110.2(8) . . . . ?
 C68 C67 C72 C71 -0.3(14) . . . . ?
 C68 C69 C70 C71 0.2(16) . . . . ?
 C41 N3 C34 C33 -172.5(7) . . . . ?
 C41 N3 C34 C35 -47.0(10) . . . . ?
 C41 C42 C43 C44 178.9(11) . . . . ?
 C8 C3 C2 C1 79.6(10) . . . . ?
 C8 C3 C2 N1 -41.3(11) . . . . ?
 C8 C3 C4 C5 0.0(15) . . . . ?
 C75 C74 C73 N5 175.3(7) . . . . ?
 C58 C59 C60 C61 -1(3) . . . . ?
 C10 C15 C14 O9 180.0(8) . . . . ?
 C10 C15 C14 C13 1.4(15) . . . . ?
 C55 C54 C53 C52 0(2) . . . . ?
 C13 C12 C11 C10 -2(3) . . . . ?
 C42 C47 C46 O14 -179.2(9) . . . . ?
 C42 C47 C46 C45 -2.4(14) . . . . ?
 C42 C43 C44 C45 -2(2) . . . . ?
 C36 C37 C38 C39 1(2) . . . . ?
 C9 N1 C2 C1 -166.7(7) . . . . ?
 C9 N1 C2 C3 -42.5(10) . . . . ?
 C9 C10 C11 C12 -175.5(14) . . . . ?
 C16 O9 C14 C15 175.7(8) . . . . ?
 C16 O9 C14 C13 -5.7(14) . . . . ?
 C64 O13 C62 C63 175.0(8) . . . . ?
 C64 O13 C62 C61 -2.8(15) . . . . ?
 C61 C62 C63 O12 179.9(10) . . . . ?
 C61 C62 C63 C58 0.0(15) . . . . ?
 C57 C58 C59 C60 -178.2(16) . . . . ?
 C53 C54 C55 C56 -0.6(19) . . . . ?
 C96 O17 C94 C95 -174.8(10) . . . . ?
 C96 O17 C94 C93 3.6(16) . . . . ?
 C59 C58 C57 N4 172.2(11) . . . . ?
 C80 O18 C78 C79 -176.8(10) . . . . ?
 C80 O18 C78 C77 2.5(16) . . . . ?
 C11 C10 C9 N1 172.7(11) . . . . ?
 C48 O14 C46 C47 -80.8(12) . . . . ?
 C48 O14 C46 C45 102.4(14) . . . . ?
 C32 O10 C30 C31 -79.8(11) . . . . ?
 C32 O10 C30 C29 103.3(13) . . . . ?

_smtbx_masks_special_details       ?
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 -0.386 0.111 0.491 316.6 55.7 ?
 2 0.111 0.386 0.741 316.6 55.4 ?
 3 -0.111 0.614 0.241 316.6 56.3 ?
 4 0.386 0.889 0.991 316.6 55.9 ?
 5 0.110 0.253 0.370 9.0 2.5 ?
 6 0.258 0.371 0.139 14.8 3.9 ?
 7 0.253 0.890 0.620 9.0 2.5 ?
 8 0.371 0.742 0.389 14.8 3.9 ?
 9 0.629 0.258 0.889 14.8 4.0 ?
 10 0.742 0.629 0.639 14.8 3.9 ?
 11 0.747 0.110 0.120 9.0 2.6 ?
 12 0.890 0.747 0.870 9.0 2.5 ?

_smtbx_masks_void_probe_radius     1.2
_smtbx_masks_void_truncation_radius  1.2
_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.532
_oxdiff_exptl_absorpt_empirical_full_min  0.656
