data_exp_137_auto
_audit_creation_date               2026-05-26
_audit_creation_method
;
Olex2 1.5-ac6-020
(compiled 2024.02.14 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6966)
;
_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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety          
 'C56 H40 Dy O8 Pt2 S8, 2(C3 H7 N O), C8 H20 N'
_chemical_formula_sum              'C70 H74 Dy N3 O10 Pt2 S8'
_chemical_formula_weight           1926.48
_chemical_absolute_configuration   ?
_chemical_melting_point            ?
_chemical_oxdiff_formula           C70H74N3O10Pt2S8Dy
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'
 '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'
 'Pt' 'Pt' -1.7033 8.3905
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S' 'S' 0.1246 0.1234 '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        'monoclinic'
_space_group_IT_number             9
_space_group_name_H-M_alt          'C 1 c 1'
_space_group_name_Hall             'C -2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 'x, -y, z+1/2'
 'x+1/2, y+1/2, z'
 'x+1/2, -y+1/2, z+1/2'

_cell_length_a                     24.1258(5)
_cell_length_b                     15.0761(2)
_cell_length_c                     19.9852(4)
_cell_angle_alpha                  90
_cell_angle_beta                   97.7549(19)
_cell_angle_gamma                  90
_cell_volume                       7202.6(2)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      33194
_cell_measurement_temperature      100.00(10)
_cell_measurement_theta_max        30.5730
_cell_measurement_theta_min        2.4850
_shelx_estimated_absorpt_T_max     0.681
_shelx_estimated_absorpt_T_min     0.287
_exptl_absorpt_coefficient_mu      5.192
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.51208
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.139a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              yellow
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.777
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               3780
_exptl_crystal_size_max            0.32
_exptl_crystal_size_mid            0.25
_exptl_crystal_size_min            0.08
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0434
_diffrn_reflns_av_unetI/netI       0.0551
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.857
_diffrn_reflns_limit_h_max         33
_diffrn_reflns_limit_h_min         -30
_diffrn_reflns_limit_k_max         21
_diffrn_reflns_limit_k_min         -20
_diffrn_reflns_limit_l_max         26
_diffrn_reflns_limit_l_min         -27
_diffrn_reflns_number              56120
_diffrn_reflns_point_group_measured_fraction_full  0.953
_diffrn_reflns_point_group_measured_fraction_max  0.763
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           30.636
_diffrn_reflns_theta_min           2.488
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.00(10)
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.857
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -16.00  25.00   0.50    0.11    --    9.30 -76.00 165.00   82
  2  ω    -14.00  32.00   0.50    0.11    --    9.30 -77.00  90.00   92
  3  ω    -19.00  10.00   0.50    0.11    --    9.30 -57.00   0.00   58
  4  ω    -11.00  15.00   0.50    0.11    --    9.30 -77.00-180.00   52
  5  ω     23.00  90.00   0.50    0.11    --    9.30  19.00 -90.00  134
  6  ω     22.00  68.00   0.50    0.11    --  -10.24  19.00-150.00   92
  7  ω     -5.00  50.00   0.50    0.11    --    9.30  57.00 -60.00  110
  8  ω    -30.00  -4.00   0.50    0.11    --  -10.24  76.00 -68.00   52
  9  ω     22.00  57.00   0.50    0.11    --  -10.24  19.00-120.00   70
 10  ω     26.00  66.00   0.50    0.11    --  -10.24  19.00 -60.00   80
 11  ω    -30.00  -5.00   0.50    0.11    --  -10.24  77.00  30.00   50
 12  ω     22.00  71.00   0.50    0.11    --  -10.24  19.00 150.00   98
 13  ω     10.00  54.00   0.50    0.11    --    9.30  57.00  30.00   88
 14  ω    -23.00   2.00   0.50    0.11    --  -10.24 -57.00-120.00   50
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0245506000
_diffrn_orient_matrix_UB_12        0.0261467000
_diffrn_orient_matrix_UB_13        -0.0012021000
_diffrn_orient_matrix_UB_21        0.0141461000
_diffrn_orient_matrix_UB_22        0.0292813000
_diffrn_orient_matrix_UB_23        0.0243449000
_diffrn_orient_matrix_UB_31        0.0087708000
_diffrn_orient_matrix_UB_32        0.0259656000
_diffrn_orient_matrix_UB_33        -0.0262455000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Rotating-anode X-ray tube'
_diffrn_source_type                'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage           0.780
_reflns_Friedel_fraction_full      0.906
_reflns_Friedel_fraction_max       0.669
_reflns_number_gt                  13592
_reflns_number_total               16965
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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 1.171.43.139a (Rigaku OD, 2024)'
_computing_data_collection         'CrysAlisPro 1.171.43.139a (Rigaku OD, 2024)'
_computing_data_reduction          'CrysAlisPro 1.171.43.139a (Rigaku OD, 2024)'
_computing_molecular_graphics      'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.675
_refine_diff_density_min           -1.827
_refine_diff_density_rms           0.142
_refine_ls_abs_structure_details
;
 Flack x determined using 5183 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.047(5)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       837
_refine_ls_number_reflns           16965
_refine_ls_number_restraints       2
_refine_ls_R_factor_all            0.0482
_refine_ls_R_factor_gt             0.0324
_refine_ls_restrained_S_all        1.027
_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)+(0.0182P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0630
_refine_ls_wR_factor_ref           0.0677
_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. Uiso/Uaniso restraints and constraints
Uanis(C65) = Uanis(N2) = Uanis(C67) = Uanis(C66)
3.a Secondary CH2 refined with riding coordinates:
 C58(H58A,H58B), C63(H63A,H63B), C59(H59A,H59B), C62(H62A,H62B)
3.b Aromatic/amide H refined with riding coordinates:
 C49(H49), C45(H45), C6(H6), C34(H34), C31(H31), C28(H28), C14(H14), C25(H25),
 C56(H56), C18(H18), C3(H3), C48(H48), C21(H21), C7(H7), C20(H20), C54(H54),
 C53(H53), C40(H40), C4(H4), C13(H13), C33(H33), C41(H41), C5(H5), C11(H11),
 C39(H39), C55(H55), C52(H52), C42(H42), C68(H68), C27(H27), C26(H26), C12(H12),
  C46(H46), C47(H47), C35(H35), C19(H19), C24(H24), C17(H17), C38(H38),
 C32(H32), C10(H10), C65(H65)
3.c Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C57(H57A,H57B,H57C), C66(H66A,H66B,H66C), C70(H70A,H70B,
 H70C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C69(H69A,H69B,H69C), C64(H64A,
 H64B,H64C)
;
_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
 Pt1 Pt 0.52898(2) 0.24918(2) 0.55844(2) 0.01330(9) Uani 1 1 d . . . . .
 Dy1 Dy 0.40522(4) 0.25099(2) 0.43409(4) 0.01049(6) Uani 1 1 d . . . . .
 Pt2 Pt 0.28116(2) 0.24587(2) 0.30932(2) 0.01323(9) Uani 1 1 d . . . . .
 N2 N 0.6423(4) 0.2290(6) 0.7040(5) 0.0630(16) Uani 1 1 d . . . . .
 S1 S 0.48030(9) 0.17598(11) 0.63378(9) 0.0172(4) Uani 1 1 d . . . . .
 S2 S 0.55466(9) 0.11286(11) 0.51848(9) 0.0172(4) Uani 1 1 d . . . . .
 S6 S 0.33452(10) 0.20086(12) 0.22816(9) 0.0184(4) Uani 1 1 d . . . . .
 S7 S 0.29572(9) 0.39203(11) 0.28119(10) 0.0185(4) Uani 1 1 d . . . . .
 S8 S 0.22701(9) 0.29306(12) 0.38954(10) 0.0185(4) Uani 1 1 d . . . . .
 O8 O 0.3268(2) 0.3379(3) 0.4500(2) 0.0139(9) Uani 1 1 d . . . . .
 O7 O 0.3957(2) 0.3520(3) 0.3429(2) 0.0169(10) Uani 1 1 d . . . . .
 S3 S 0.57796(9) 0.32392(11) 0.48412(9) 0.0182(4) Uani 1 1 d . . . . .
 S4 S 0.50260(10) 0.38347(11) 0.60035(10) 0.0183(4) Uani 1 1 d . . . . .
 C67 C 0.6738(5) 0.2184(7) 0.6485(6) 0.0630(16) Uani 1 1 d . . . . .
 H67A H 0.659106 0.258665 0.611867 0.094 Uiso 1 1 calc R U . . .
 H67B H 0.670573 0.157025 0.632313 0.094 Uiso 1 1 calc R U . . .
 H67C H 0.713215 0.232317 0.663438 0.094 Uiso 1 1 calc R U . . .
 O2 O 0.4479(2) 0.1148(3) 0.4703(2) 0.0159(10) Uani 1 1 d . . . . .
 O6 O 0.4040(2) 0.1605(3) 0.3371(2) 0.0144(10) Uani 1 1 d . . . . .
 O3 O 0.4945(2) 0.2617(3) 0.3988(2) 0.0161(10) Uani 1 1 d . . . . .
 O1 O 0.3965(2) 0.2413(3) 0.5508(2) 0.0163(10) Uani 1 1 d . . . . .
 O4 O 0.4426(2) 0.3854(3) 0.4803(2) 0.0156(10) Uani 1 1 d . . . . .
 C16 C 0.5580(3) 0.3479(4) 0.3462(4) 0.0193(16) Uani 1 1 d . . . . .
 C49 C 0.3606(4) 0.5613(5) 0.2576(4) 0.029(2) Uani 1 1 d . . . . .
 H49 H 0.321878 0.553292 0.242362 0.034 Uiso 1 1 calc R U . . .
 C23 C 0.4307(3) 0.5129(4) 0.5445(3) 0.0178(15) Uani 1 1 d . . . . .
 C58 C 0.1839(4) 0.6748(5) 0.4264(4) 0.036(2) Uani 1 1 d . . . . .
 H58A H 0.189039 0.739763 0.423597 0.043 Uiso 1 1 calc R U . . .
 H58B H 0.144572 0.664058 0.433344 0.043 Uiso 1 1 calc R U . . .
 C45 C 0.4476(3) 0.5080(4) 0.3152(3) 0.0217(16) Uani 1 1 d . . . . .
 H45 H 0.468611 0.463418 0.340949 0.026 Uiso 1 1 calc R U . . .
 C2 C 0.3677(3) 0.1623(4) 0.6413(3) 0.0158(15) Uani 1 1 d . . . . .
 S5 S 0.26430(10) 0.09942(11) 0.33745(10) 0.0177(4) Uani 1 1 d . . . . .
 C6 C 0.2715(4) 0.1601(5) 0.6597(4) 0.0303(19) Uani 1 1 d . . . . .
 H6 H 0.234277 0.181396 0.648889 0.036 Uiso 1 1 calc R U . . .
 C34 C 0.2300(4) -0.1022(5) 0.4937(4) 0.033(2) Uani 1 1 d . . . . .
 H34 H 0.197410 -0.137884 0.484952 0.040 Uiso 1 1 calc R U . . .
 C36 C 0.3945(3) 0.1619(4) 0.2737(3) 0.0170(16) Uani 1 1 d . . . . .
 C1 C 0.4121(3) 0.1977(4) 0.6030(3) 0.0146(15) Uani 1 1 d . . . . .
 C30 C 0.2883(3) 0.0153(4) 0.4621(3) 0.0155(14) Uani 1 1 d . . . . .
 C57 C 0.2213(5) 0.6409(6) 0.4869(5) 0.046(3) Uani 1 1 d . . . . .
 H57A H 0.260360 0.654068 0.481984 0.070 Uiso 1 1 calc R U . . .
 H57B H 0.216498 0.576655 0.490629 0.070 Uiso 1 1 calc R U . . .
 H57C H 0.211636 0.669912 0.527644 0.070 Uiso 1 1 calc R U . . .
 C31 C 0.3252(3) 0.0009(4) 0.5203(3) 0.0209(16) Uani 1 1 d . . . . .
 H31 H 0.357913 0.036255 0.529494 0.025 Uiso 1 1 calc R U . . .
 C28 C 0.4102(3) 0.5610(4) 0.4880(3) 0.0233(17) Uani 1 1 d . . . . .
 H28 H 0.413256 0.537738 0.444464 0.028 Uiso 1 1 calc R U . . .
 C14 C 0.4425(3) -0.0531(4) 0.4148(3) 0.0240(17) Uani 1 1 d . . . . .
 H14 H 0.411460 -0.014547 0.403748 0.029 Uiso 1 1 calc R U . . .
 C25 C 0.3989(4) 0.6259(5) 0.6154(4) 0.033(2) Uani 1 1 d . . . . .
 H25 H 0.393985 0.647066 0.659013 0.039 Uiso 1 1 calc R U . . .
 C66 C 0.6329(5) 0.3209(6) 0.7215(5) 0.0630(16) Uani 1 1 d . . . . .
 H66A H 0.663326 0.340817 0.755741 0.094 Uiso 1 1 calc R U . . .
 H66B H 0.597215 0.325783 0.739484 0.094 Uiso 1 1 calc R U . . .
 H66C H 0.631911 0.357989 0.681109 0.094 Uiso 1 1 calc R U . . .
 C70 C 0.6503(5) 0.5824(9) 0.5505(5) 0.073(4) Uani 1 1 d . . . . .
 H70A H 0.650506 0.518302 0.558550 0.110 Uiso 1 1 calc R U . . .
 H70B H 0.638914 0.613344 0.589518 0.110 Uiso 1 1 calc R U . . .
 H70C H 0.687948 0.601796 0.543688 0.110 Uiso 1 1 calc R U . . .
 C56 C 0.1989(3) 0.3723(5) 0.5232(3) 0.0223(16) Uani 1 1 d . . . . .
 H56 H 0.173303 0.336438 0.494725 0.027 Uiso 1 1 calc R U . . .
 C15 C 0.5383(3) 0.3067(4) 0.4067(3) 0.0158(16) Uani 1 1 d . . . . .
 C18 C 0.6135(4) 0.4533(5) 0.2933(4) 0.035(2) Uani 1 1 d . . . . .
 H18 H 0.640691 0.499234 0.297068 0.043 Uiso 1 1 calc R U . . .
 C3 C 0.3801(3) 0.1005(4) 0.6936(3) 0.0220(17) Uani 1 1 d . . . . .
 H3 H 0.417471 0.080980 0.705963 0.026 Uiso 1 1 calc R U . . .
 C9 C 0.4902(3) -0.0225(4) 0.4556(3) 0.0164(15) Uani 1 1 d . . . . .
 C48 C 0.3873(4) 0.6399(5) 0.2439(4) 0.033(2) Uani 1 1 d . . . . .
 H48 H 0.366277 0.686343 0.220408 0.039 Uiso 1 1 calc R U . . .
 O5 O 0.3329(2) 0.1501(3) 0.4436(2) 0.0164(10) Uani 1 1 d . . . . .
 N3 N 0.6125(3) 0.6023(5) 0.4925(4) 0.0380(18) Uani 1 1 d . . . . .
 C21 C 0.5343(3) 0.3192(4) 0.2826(3) 0.0243(17) Uani 1 1 d . . . . .
 H21 H 0.507544 0.272645 0.278716 0.029 Uiso 1 1 calc R U . . .
 C43 C 0.3649(3) 0.4080(4) 0.3107(3) 0.0151(15) Uani 1 1 d . . . . .
 C7 C 0.3136(3) 0.1917(4) 0.6250(3) 0.0244(17) Uani 1 1 d . . . . .
 H7 H 0.304940 0.233961 0.589874 0.029 Uiso 1 1 calc R U . . .
 C44 C 0.3912(3) 0.4945(4) 0.2939(3) 0.0158(15) Uani 1 1 d . . . . .
 N1 N 0.1930(3) 0.6343(4) 0.3595(3) 0.0274(16) Uani 1 1 d . . . . .
 C20 C 0.5494(4) 0.3581(5) 0.2246(4) 0.032(2) Uani 1 1 d . . . . .
 H20 H 0.532286 0.339177 0.181298 0.039 Uiso 1 1 calc R U . . .
 C37 C 0.4392(3) 0.1252(4) 0.2360(3) 0.0169(16) Uani 1 1 d . . . . .
 C60 C 0.1323(4) 0.5020(5) 0.3836(4) 0.0313(19) Uani 1 1 d . . . . .
 H60A H 0.100013 0.528281 0.355581 0.047 Uiso 1 1 calc R U . . .
 H60B H 0.132094 0.519698 0.430791 0.047 Uiso 1 1 calc R U . . .
 H60C H 0.130196 0.437186 0.380156 0.047 Uiso 1 1 calc R U . . .
 C54 C 0.2185(4) 0.4696(5) 0.6189(4) 0.031(2) Uani 1 1 d . . . . .
 H54 H 0.206300 0.499623 0.656081 0.038 Uiso 1 1 calc R U . . .
 C53 C 0.2726(4) 0.4799(5) 0.6058(4) 0.0299(19) Uani 1 1 d . . . . .
 H53 H 0.297760 0.517319 0.633396 0.036 Uiso 1 1 calc R U . . .
 C50 C 0.2750(4) 0.3377(4) 0.4512(3) 0.0187(17) Uani 1 1 d . . . . .
 C40 C 0.5195(4) 0.0524(5) 0.1647(4) 0.0278(19) Uani 1 1 d . . . . .
 H40 H 0.546341 0.026327 0.140032 0.033 Uiso 1 1 calc R U . . .
 O9 O 0.6378(3) 0.0798(3) 0.7250(3) 0.0394(14) Uani 1 1 d . . . . .
 C4 C 0.3376(4) 0.0678(5) 0.7275(4) 0.030(2) Uani 1 1 d . . . . .
 H4 H 0.345867 0.025181 0.762386 0.036 Uiso 1 1 calc R U . . .
 C13 C 0.4401(4) -0.1387(5) 0.3903(4) 0.035(2) Uani 1 1 d . . . . .
 H13 H 0.407484 -0.158699 0.362369 0.041 Uiso 1 1 calc R U . . .
 C33 C 0.2668(4) -0.1154(5) 0.5520(4) 0.0312(19) Uani 1 1 d . . . . .
 H33 H 0.259031 -0.159626 0.583237 0.037 Uiso 1 1 calc R U . . .
 C41 C 0.4803(4) 0.1089(5) 0.1334(4) 0.031(2) Uani 1 1 d . . . . .
 H41 H 0.480978 0.123947 0.087309 0.037 Uiso 1 1 calc R U . . .
 C51 C 0.2538(3) 0.3818(4) 0.5104(3) 0.0191(17) Uani 1 1 d . . . . .
 C5 C 0.2838(4) 0.0971(5) 0.7103(4) 0.031(2) Uani 1 1 d . . . . .
 H5 H 0.254832 0.074292 0.733094 0.037 Uiso 1 1 calc R U . . .
 C11 C 0.5317(4) -0.1672(4) 0.4474(4) 0.0312(19) Uani 1 1 d . . . . .
 H11 H 0.562069 -0.206700 0.459395 0.037 Uiso 1 1 calc R U . . .
 C39 C 0.5202(3) 0.0329(5) 0.2331(4) 0.0285(18) Uani 1 1 d . . . . .
 H39 H 0.547918 -0.005426 0.255566 0.034 Uiso 1 1 calc R U . . .
 C55 C 0.1820(4) 0.4162(5) 0.5784(4) 0.030(2) Uani 1 1 d . . . . .
 H55 H 0.144788 0.409040 0.588164 0.036 Uiso 1 1 calc R U . . .
 C52 C 0.2898(3) 0.4352(4) 0.5520(3) 0.0219(16) Uani 1 1 d . . . . .
 H52 H 0.327446 0.441287 0.543433 0.026 Uiso 1 1 calc R U . . .
 C42 C 0.4395(3) 0.1447(5) 0.1675(3) 0.0232(17) Uani 1 1 d . . . . .
 H42 H 0.411661 0.182543 0.144529 0.028 Uiso 1 1 calc R U . . .
 C68 C 0.6292(4) 0.6324(5) 0.4350(5) 0.037(2) Uani 1 1 d . . . . .
 H68 H 0.668251 0.639639 0.434274 0.044 Uiso 1 1 calc R U . . .
 C27 C 0.3850(3) 0.6437(5) 0.4939(4) 0.0287(19) Uani 1 1 d . . . . .
 H27 H 0.372234 0.677915 0.454955 0.034 Uiso 1 1 calc R U . . .
 C26 C 0.3789(4) 0.6750(5) 0.5586(4) 0.035(2) Uani 1 1 d . . . . .
 H26 H 0.360992 0.730268 0.563512 0.042 Uiso 1 1 calc R U . . .
 C12 C 0.4847(4) -0.1955(5) 0.4062(4) 0.034(2) Uani 1 1 d . . . . .
 H12 H 0.483010 -0.254201 0.388802 0.041 Uiso 1 1 calc R U . . .
 C46 C 0.4738(4) 0.5855(5) 0.2996(4) 0.0290(19) Uani 1 1 d . . . . .
 H46 H 0.512712 0.593566 0.313359 0.035 Uiso 1 1 calc R U . . .
 C63 C 0.1501(4) 0.6773(5) 0.3068(4) 0.037(2) Uani 1 1 d . . . . .
 H63A H 0.112309 0.660757 0.316669 0.044 Uiso 1 1 calc R U . . .
 H63B H 0.153605 0.742453 0.311592 0.044 Uiso 1 1 calc R U . . .
 C47 C 0.4427(4) 0.6509(5) 0.2637(4) 0.0287(19) Uani 1 1 d . . . . .
 H47 H 0.460446 0.704166 0.252698 0.034 Uiso 1 1 calc R U . . .
 C35 C 0.2403(3) -0.0369(4) 0.4478(3) 0.0232(16) Uani 1 1 d . . . . .
 H35 H 0.215205 -0.028032 0.407475 0.028 Uiso 1 1 calc R U . . .
 C59 C 0.1848(4) 0.5335(5) 0.3599(4) 0.0309(19) Uani 1 1 d . . . . .
 H59A H 0.185680 0.511001 0.313563 0.037 Uiso 1 1 calc R U . . .
 H59B H 0.216926 0.506852 0.389156 0.037 Uiso 1 1 calc R U . . .
 C19 C 0.5895(4) 0.4245(5) 0.2302(4) 0.036(2) Uani 1 1 d . . . . .
 H19 H 0.600513 0.450273 0.190677 0.043 Uiso 1 1 calc R U . . .
 C61 C 0.2683(5) 0.7457(5) 0.3427(5) 0.053(3) Uani 1 1 d . . . . .
 H61A H 0.244922 0.776433 0.305918 0.079 Uiso 1 1 calc R U . . .
 H61B H 0.307636 0.749868 0.335716 0.079 Uiso 1 1 calc R U . . .
 H61C H 0.263345 0.773373 0.385869 0.079 Uiso 1 1 calc R U . . .
 C62 C 0.2513(4) 0.6497(6) 0.3436(5) 0.045(2) Uani 1 1 d . . . . .
 H62A H 0.254559 0.623473 0.298856 0.054 Uiso 1 1 calc R U . . .
 H62B H 0.277894 0.618086 0.377452 0.054 Uiso 1 1 calc R U . . .
 C24 C 0.4259(3) 0.5466(5) 0.6088(4) 0.0232(18) Uani 1 1 d . . . . .
 H24 H 0.441343 0.514577 0.647886 0.028 Uiso 1 1 calc R U . . .
 C17 C 0.5978(3) 0.4150(4) 0.3508(4) 0.0238(17) Uani 1 1 d . . . . .
 H17 H 0.614414 0.434803 0.393977 0.029 Uiso 1 1 calc R U . . .
 C38 C 0.4800(3) 0.0703(4) 0.2676(3) 0.0228(16) Uani 1 1 d . . . . .
 H38 H 0.480725 0.057628 0.314283 0.027 Uiso 1 1 calc R U . . .
 C69 C 0.5532(4) 0.5868(6) 0.4956(5) 0.047(2) Uani 1 1 d . . . . .
 H69A H 0.547650 0.525155 0.508664 0.070 Uiso 1 1 calc R U . . .
 H69B H 0.531806 0.598252 0.451199 0.070 Uiso 1 1 calc R U . . .
 H69C H 0.540370 0.626727 0.529052 0.070 Uiso 1 1 calc R U . . .
 O10 O 0.5980(3) 0.6509(5) 0.3839(4) 0.054(2) Uani 1 1 d . . . . .
 C64 C 0.1543(5) 0.6532(5) 0.2341(4) 0.048(3) Uani 1 1 d . . . . .
 H64A H 0.123183 0.680265 0.204542 0.072 Uiso 1 1 calc R U . . .
 H64B H 0.152743 0.588613 0.228893 0.072 Uiso 1 1 calc R U . . .
 H64C H 0.189835 0.675264 0.221859 0.072 Uiso 1 1 calc R U . . .
 C32 C 0.3146(4) -0.0654(4) 0.5652(3) 0.0256(18) Uani 1 1 d . . . . .
 H32 H 0.340170 -0.075941 0.604827 0.031 Uiso 1 1 calc R U . . .
 C10 C 0.5346(3) -0.0812(4) 0.4712(3) 0.0199(16) Uani 1 1 d . . . . .
 H10 H 0.567497 -0.061624 0.498685 0.024 Uiso 1 1 calc R U . . .
 C65 C 0.6291(5) 0.1608(6) 0.7366(5) 0.0630(16) Uani 1 1 d . . . . .
 H65 H 0.610383 0.172526 0.774516 0.076 Uiso 1 1 calc R U . . .
 C22 C 0.4563(3) 0.4242(4) 0.5354(3) 0.0152(15) Uani 1 1 d . . . . .
 C8 C 0.4921(3) 0.0715(4) 0.4799(3) 0.0168(15) Uani 1 1 d . . . . .
 C29 C 0.2994(3) 0.0926(4) 0.4182(3) 0.0149(14) Uani 1 1 d . . . . .


_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
 Pt1 Dy1 3.6179(10) . ?
 Pt1 S1 2.3112(19) . ?
 Pt1 S2 2.3192(17) . ?
 Pt1 S3 2.3120(19) . ?
 Pt1 S4 2.3130(17) . ?
 Dy1 O8 2.357(4) . ?
 Dy1 O7 2.362(4) . ?
 Dy1 O2 2.366(4) . ?
 Dy1 O6 2.368(4) . ?
 Dy1 O3 2.360(5) . ?
 Dy1 O1 2.375(4) . ?
 Dy1 O4 2.356(4) . ?
 Dy1 O5 2.341(4) . ?
 Pt2 S6 2.305(2) . ?
 Pt2 S7 2.3127(18) . ?
 Pt2 S8 2.313(2) . ?
 Pt2 S5 2.3276(18) . ?
 N2 C67 1.435(14) . ?
 N2 C66 1.454(11) . ?
 N2 C65 1.280(13) . ?
 S1 C1 1.708(8) . ?
 S2 C8 1.717(8) . ?
 S6 C36 1.707(8) . ?
 S7 C43 1.710(8) . ?
 S8 C50 1.712(8) . ?
 O8 C50 1.253(9) . ?
 O7 C43 1.244(8) . ?
 S3 C15 1.725(7) . ?
 S4 C22 1.708(7) . ?
 O2 C8 1.242(8) . ?
 O6 C36 1.255(7) . ?
 O3 C15 1.249(8) . ?
 O1 C1 1.247(7) . ?
 O4 C22 1.251(8) . ?
 C16 C15 1.493(10) . ?
 C16 C21 1.391(10) . ?
 C16 C17 1.388(10) . ?
 C49 C48 1.394(11) . ?
 C49 C44 1.392(10) . ?
 C23 C28 1.376(9) . ?
 C23 C24 1.401(9) . ?
 C23 C22 1.495(9) . ?
 C58 C57 1.499(13) . ?
 C58 N1 1.513(9) . ?
 C45 C44 1.386(10) . ?
 C45 C46 1.384(10) . ?
 C2 C1 1.497(10) . ?
 C2 C3 1.401(9) . ?
 C2 C7 1.376(10) . ?
 S5 C29 1.721(7) . ?
 C6 C7 1.390(10) . ?
 C6 C5 1.389(10) . ?
 C34 C33 1.380(11) . ?
 C34 C35 1.390(9) . ?
 C36 C37 1.501(10) . ?
 C30 C31 1.383(9) . ?
 C30 C35 1.397(9) . ?
 C30 C29 1.505(9) . ?
 C31 C32 1.390(9) . ?
 C28 C27 1.400(9) . ?
 C14 C9 1.397(10) . ?
 C14 C13 1.379(9) . ?
 C25 C26 1.387(11) . ?
 C25 C24 1.378(10) . ?
 C70 N3 1.408(12) . ?
 C56 C51 1.389(11) . ?
 C56 C55 1.394(10) . ?
 C18 C19 1.384(11) . ?
 C18 C17 1.385(10) . ?
 C3 C4 1.392(11) . ?
 C9 C10 1.390(9) . ?
 C9 C8 1.496(8) . ?
 C48 C47 1.353(12) . ?
 O5 C29 1.247(8) . ?
 N3 C68 1.347(11) . ?
 N3 C69 1.457(11) . ?
 C21 C20 1.390(10) . ?
 C43 C44 1.509(9) . ?
 N1 C63 1.519(10) . ?
 N1 C59 1.533(9) . ?
 N1 C62 1.501(11) . ?
 C20 C19 1.387(11) . ?
 C37 C42 1.402(9) . ?
 C37 C38 1.374(10) . ?
 C60 C59 1.489(11) . ?
 C54 C53 1.373(12) . ?
 C54 C55 1.374(11) . ?
 C53 C52 1.380(9) . ?
 C50 C51 1.506(10) . ?
 C40 C41 1.361(11) . ?
 C40 C39 1.396(10) . ?
 O9 C65 1.266(10) . ?
 C4 C5 1.369(12) . ?
 C13 C12 1.379(12) . ?
 C33 C32 1.372(11) . ?
 C41 C42 1.380(11) . ?
 C51 C52 1.378(10) . ?
 C11 C12 1.375(11) . ?
 C11 C10 1.379(9) . ?
 C39 C38 1.383(10) . ?
 C68 O10 1.216(11) . ?
 C27 C26 1.402(10) . ?
 C46 C47 1.379(10) . ?
 C63 C64 1.514(10) . ?
 C61 C62 1.505(11) . ?

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
 S1 Pt1 Dy1 90.36(6) . . ?
 S1 Pt1 S2 89.09(6) . . ?
 S1 Pt1 S3 179.23(7) . . ?
 S1 Pt1 S4 89.61(7) . . ?
 S2 Pt1 Dy1 90.24(5) . . ?
 S3 Pt1 Dy1 90.06(5) . . ?
 S3 Pt1 S2 91.56(7) . . ?
 S3 Pt1 S4 89.74(6) . . ?
 S4 Pt1 Dy1 90.01(6) . . ?
 S4 Pt1 S2 178.67(7) . . ?
 O8 Dy1 Pt1 120.97(10) . . ?
 O8 Dy1 O7 75.45(15) . . ?
 O8 Dy1 O2 139.92(15) . . ?
 O8 Dy1 O6 120.57(15) . . ?
 O8 Dy1 O3 141.57(14) . . ?
 O8 Dy1 O1 73.93(15) . . ?
 O7 Dy1 Pt1 121.36(12) . . ?
 O7 Dy1 O2 142.05(15) . . ?
 O7 Dy1 O6 75.58(14) . . ?
 O7 Dy1 O1 141.72(14) . . ?
 O2 Dy1 Pt1 59.90(11) . . ?
 O2 Dy1 O6 72.97(14) . . ?
 O2 Dy1 O1 74.85(14) . . ?
 O6 Dy1 Pt1 118.44(11) . . ?
 O6 Dy1 O1 140.88(14) . . ?
 O3 Dy1 Pt1 60.26(11) . . ?
 O3 Dy1 O7 73.96(16) . . ?
 O3 Dy1 O2 76.91(15) . . ?
 O3 Dy1 O6 72.91(15) . . ?
 O3 Dy1 O1 120.18(16) . . ?
 O1 Dy1 Pt1 59.92(12) . . ?
 O4 Dy1 Pt1 60.01(11) . . ?
 O4 Dy1 O8 74.99(15) . . ?
 O4 Dy1 O7 74.95(15) . . ?
 O4 Dy1 O2 119.90(16) . . ?
 O4 Dy1 O6 141.17(15) . . ?
 O4 Dy1 O3 75.04(15) . . ?
 O4 Dy1 O1 75.37(14) . . ?
 O5 Dy1 Pt1 119.60(11) . . ?
 O5 Dy1 O8 74.33(15) . . ?
 O5 Dy1 O7 119.04(16) . . ?
 O5 Dy1 O2 73.13(16) . . ?
 O5 Dy1 O6 76.40(15) . . ?
 O5 Dy1 O3 142.04(14) . . ?
 O5 Dy1 O1 73.41(15) . . ?
 O5 Dy1 O4 140.98(15) . . ?
 S6 Pt2 S7 89.53(7) . . ?
 S6 Pt2 S8 178.99(7) . . ?
 S6 Pt2 S5 91.33(7) . . ?
 S7 Pt2 S5 178.68(8) . . ?
 S8 Pt2 S7 89.66(7) . . ?
 S8 Pt2 S5 89.48(7) . . ?
 C67 N2 C66 114.0(10) . . ?
 C65 N2 C67 119.9(10) . . ?
 C65 N2 C66 125.8(10) . . ?
 C1 S1 Pt1 102.9(2) . . ?
 C8 S2 Pt1 102.5(2) . . ?
 C36 S6 Pt2 103.9(2) . . ?
 C43 S7 Pt2 102.9(2) . . ?
 C50 S8 Pt2 103.3(3) . . ?
 C50 O8 Dy1 145.3(4) . . ?
 C43 O7 Dy1 145.6(4) . . ?
 C15 S3 Pt1 103.5(3) . . ?
 C22 S4 Pt1 102.9(2) . . ?
 C8 O2 Dy1 146.4(4) . . ?
 C36 O6 Dy1 142.7(4) . . ?
 C15 O3 Dy1 142.3(4) . . ?
 C1 O1 Dy1 142.9(4) . . ?
 C22 O4 Dy1 142.1(4) . . ?
 C21 C16 C15 118.3(6) . . ?
 C17 C16 C15 122.8(7) . . ?
 C17 C16 C21 118.8(7) . . ?
 C44 C49 C48 119.4(8) . . ?
 C28 C23 C24 119.8(6) . . ?
 C28 C23 C22 118.7(6) . . ?
 C24 C23 C22 121.5(6) . . ?
 C57 C58 N1 115.6(7) . . ?
 C46 C45 C44 120.9(7) . . ?
 C3 C2 C1 121.5(7) . . ?
 C7 C2 C1 119.1(6) . . ?
 C7 C2 C3 119.4(7) . . ?
 C29 S5 Pt2 101.7(2) . . ?
 C5 C6 C7 119.9(8) . . ?
 C33 C34 C35 120.5(7) . . ?
 O6 C36 S6 124.7(6) . . ?
 O6 C36 C37 117.0(7) . . ?
 C37 C36 S6 118.2(5) . . ?
 O1 C1 S1 124.7(5) . . ?
 O1 C1 C2 117.4(7) . . ?
 C2 C1 S1 118.0(5) . . ?
 C31 C30 C35 120.4(6) . . ?
 C31 C30 C29 117.8(6) . . ?
 C35 C30 C29 121.7(6) . . ?
 C30 C31 C32 120.1(7) . . ?
 C23 C28 C27 120.8(6) . . ?
 C13 C14 C9 120.6(7) . . ?
 C24 C25 C26 120.1(7) . . ?
 C51 C56 C55 119.0(7) . . ?
 O3 C15 S3 123.5(5) . . ?
 O3 C15 C16 118.7(6) . . ?
 C16 C15 S3 117.8(6) . . ?
 C19 C18 C17 119.8(8) . . ?
 C4 C3 C2 120.1(7) . . ?
 C14 C9 C8 119.2(6) . . ?
 C10 C9 C14 118.0(6) . . ?
 C10 C9 C8 122.8(7) . . ?
 C47 C48 C49 120.7(8) . . ?
 C29 O5 Dy1 150.2(4) . . ?
 C70 N3 C69 117.5(8) . . ?
 C68 N3 C70 122.5(9) . . ?
 C68 N3 C69 119.9(8) . . ?
 C20 C21 C16 120.7(7) . . ?
 O7 C43 S7 124.7(5) . . ?
 O7 C43 C44 117.6(7) . . ?
 C44 C43 S7 117.7(5) . . ?
 C2 C7 C6 120.3(7) . . ?
 C49 C44 C43 122.2(7) . . ?
 C45 C44 C49 119.0(6) . . ?
 C45 C44 C43 118.9(6) . . ?
 C58 N1 C63 105.8(6) . . ?
 C58 N1 C59 111.1(6) . . ?
 C63 N1 C59 110.5(6) . . ?
 C62 N1 C58 112.2(7) . . ?
 C62 N1 C63 111.0(6) . . ?
 C62 N1 C59 106.3(6) . . ?
 C19 C20 C21 119.6(7) . . ?
 C42 C37 C36 120.8(7) . . ?
 C38 C37 C36 120.7(6) . . ?
 C38 C37 C42 118.5(7) . . ?
 C53 C54 C55 120.2(7) . . ?
 C54 C53 C52 119.2(7) . . ?
 O8 C50 S8 124.5(5) . . ?
 O8 C50 C51 117.5(7) . . ?
 C51 C50 S8 118.0(6) . . ?
 C41 C40 C39 119.9(7) . . ?
 C5 C4 C3 119.9(7) . . ?
 C12 C13 C14 120.3(8) . . ?
 C32 C33 C34 120.7(7) . . ?
 C40 C41 C42 121.0(7) . . ?
 C56 C51 C50 122.2(7) . . ?
 C52 C51 C56 119.3(6) . . ?
 C52 C51 C50 118.5(7) . . ?
 C4 C5 C6 120.4(8) . . ?
 C12 C11 C10 119.8(8) . . ?
 C38 C39 C40 119.1(7) . . ?
 C54 C55 C56 120.8(8) . . ?
 C51 C52 C53 121.5(7) . . ?
 C41 C42 C37 119.9(7) . . ?
 O10 C68 N3 124.7(9) . . ?
 C28 C27 C26 118.6(7) . . ?
 C25 C26 C27 120.5(7) . . ?
 C11 C12 C13 120.0(7) . . ?
 C47 C46 C45 119.2(8) . . ?
 C64 C63 N1 115.8(7) . . ?
 C48 C47 C46 120.8(7) . . ?
 C34 C35 C30 118.7(7) . . ?
 C60 C59 N1 115.8(6) . . ?
 C18 C19 C20 120.2(7) . . ?
 N1 C62 C61 114.6(7) . . ?
 C25 C24 C23 120.1(7) . . ?
 C18 C17 C16 120.9(7) . . ?
 C37 C38 C39 121.6(7) . . ?
 C33 C32 C31 119.6(7) . . ?
 C11 C10 C9 121.3(7) . . ?
 O9 C65 N2 128.6(11) . . ?
 O4 C22 S4 124.7(5) . . ?
 O4 C22 C23 117.4(6) . . ?
 C23 C22 S4 117.9(5) . . ?
 O2 C8 S2 124.2(5) . . ?
 O2 C8 C9 117.4(6) . . ?
 C9 C8 S2 118.4(5) . . ?
 C30 C29 S5 119.3(5) . . ?
 O5 C29 S5 123.4(5) . . ?
 O5 C29 C30 117.2(6) . . ?

_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  1.924
_oxdiff_exptl_absorpt_empirical_full_min  0.655
