data_exp_1335
_audit_creation_date               2020-12-04
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2016/6'
_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.

Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst., 40, 786-790;
Palatinus, L. & van der Lee, A. (2008). J. Appl. Cryst. 41, 975-984;
Palatinus, L., Prathapa, S. J. & van Smaalen, S. (2012). J. Appl. Cryst. 45,
 575-580.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety           'C64 H54 N6 Pd2, 2(C H Cl3)'
_chemical_formula_sum              'C66 H56 Cl6 N6 Pd2'
_chemical_formula_weight           1358.66
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C50 N4 Pd1 H50 Cl3'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 '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'
 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pd' 'Pd' 0.1215 3.9337 '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             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     15.5926(4)
_cell_length_b                     11.3061(3)
_cell_length_c                     16.9999(5)
_cell_angle_alpha                  90
_cell_angle_beta                   104.232(3)
_cell_angle_gamma                  90
_cell_volume                       2904.95(15)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      3623
_cell_measurement_temperature      100.01(10)
_cell_measurement_theta_max        71.1390
_cell_measurement_theta_min        4.7400
_shelx_estimated_absorpt_T_max     0.858
_shelx_estimated_absorpt_T_min     0.505
_exptl_absorpt_coefficient_mu      7.907
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.65999
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              black
_exptl_crystal_colour_primary      black
_exptl_crystal_density_diffrn      1.553
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1376
_exptl_crystal_size_max            0.1
_exptl_crystal_size_mid            0.1
_exptl_crystal_size_min            0.02
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0496
_diffrn_reflns_av_unetI/netI       0.0718
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         18
_diffrn_reflns_limit_h_min         -18
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -13
_diffrn_reflns_limit_l_max         9
_diffrn_reflns_limit_l_min         -20
_diffrn_reflns_number              10579
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          66.596
_diffrn_reflns_theta_max           66.596
_diffrn_reflns_theta_min           2.924
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.01(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   8.0697
_diffrn_detector_type              EosS2
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -31.00  42.00   1.00    1.00    --   33.98 -38.00  90.00   73
  2  ω     54.00  81.00   1.00    1.00    --   33.98-125.00  60.00   27
  3  ω    -20.00 101.00   1.00    1.00    --   33.98   0.00 120.00  121
  4  ω     38.00 100.00   1.00    4.00    --  105.88 -94.00   0.00   62
  5  ω     80.00 140.00   1.00    4.00    --  105.88 -15.00  90.00   60
  6  ω     95.00 129.00   1.00    4.00    --  105.88  61.00   0.00   34
  7  ω     89.00 174.00   1.00    4.00    --  105.88  45.00 -90.00   85
  8  ω    100.00 127.00   1.00    4.00    --  105.88 -30.00-150.00   27
  9  ω     67.00 133.00   1.00    4.00    --  105.88 -77.00-150.00   66
 10  ω     37.00 101.00   1.00    4.00    --  105.88 -94.00-180.00   64
 11  ω     24.00  52.00   1.00    1.00    --   33.98-125.00  60.00   28
 12  ω     24.00  78.00   1.00    1.00    --   33.98-125.00 120.00   54
 13  ω     38.00  92.00   1.00    4.00    --  105.88 -94.00  90.00   54
 14  ω     37.00  64.00   1.00    4.00    --  105.88 -15.00  90.00   27
 15  ω     57.00 102.00   1.00    4.00    --  105.88 178.00 -90.00   45
 16  ω    112.00 137.00   1.00    4.00    --  105.88 178.00 -90.00   25
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0989988000
_diffrn_orient_matrix_UB_12        -0.0237875000
_diffrn_orient_matrix_UB_13        0.0371090000
_diffrn_orient_matrix_UB_21        -0.0102041000
_diffrn_orient_matrix_UB_22        -0.1249601000
_diffrn_orient_matrix_UB_23        -0.0373237000
_diffrn_orient_matrix_UB_31        0.0220992000
_diffrn_orient_matrix_UB_32        0.0488571000
_diffrn_orient_matrix_UB_33        -0.0772582000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4234
_reflns_number_total               5136
_reflns_odcompleteness_completeness  99.87
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       66.49
_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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection         'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction          'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max           1.904
_refine_diff_density_min           -1.056
_refine_diff_density_rms           0.130
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.028
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       367
_refine_ls_number_reflns           5136
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0639
_refine_ls_R_factor_gt             0.0513
_refine_ls_restrained_S_all        1.028
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0750P)²+3.0432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1299
_refine_ls_wR_factor_ref           0.1406
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C33(H33)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C2(H2), C12(H12), C6(H6), C29(H29), C27(H27), C3(H3), C19(H19),
 C17(H17)
2.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C26(H26A,H26B,H26C), C31(H31A,H31B,H31C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_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
 Pd2 Pd -0.04694(2) 0.02107(3) 0.59594(2) 0.01644(14) Uani 1 1 d . . . . .
 Cl2 Cl 0.47684(14) 0.04492(17) 0.23218(11) 0.0547(5) Uani 1 1 d . . . . .
 Cl3 Cl 0.37985(16) -0.1500(2) 0.14462(16) 0.0767(7) Uani 1 1 d . . . . .
 Cl1 Cl 0.56942(18) -0.1494(3) 0.1783(2) 0.0939(9) Uani 1 1 d . . . . .
 N2 N 0.1037(3) 0.0523(4) 0.5114(2) 0.0183(8) Uani 1 1 d . . . . .
 N1 N 0.0117(3) 0.0955(4) 0.6992(3) 0.0207(9) Uani 1 1 d . . . . .
 N3 N 0.1567(3) 0.0061(4) 0.3627(2) 0.0177(8) Uani 1 1 d . . . . .
 C7 C 0.0671(3) 0.0616(4) 0.5722(3) 0.0185(9) Uani 1 1 d . . . . .
 C8 C 0.1907(3) 0.0987(4) 0.5337(3) 0.0197(10) Uani 1 1 d . . . . .
 C1 C -0.0190(3) 0.1212(4) 0.7670(3) 0.0194(10) Uani 1 1 d . . . . .
 C11 C 0.2917(3) 0.0678(4) 0.3512(3) 0.0194(10) Uani 1 1 d . . . . .
 H11 H 0.347549 0.102240 0.364080 0.023 Uiso 1 1 calc R . . . .
 C4 C 0.0939(3) 0.1388(4) 0.7106(3) 0.0182(10) Uani 1 1 d . . . . .
 C24 C 0.3396(3) 0.1515(5) 0.5196(3) 0.0213(10) Uani 1 1 d . . . . .
 C2 C 0.0498(3) 0.1860(4) 0.8223(3) 0.0216(10) Uani 1 1 d . . . . .
 H2 H 0.047411 0.215041 0.872937 0.026 Uiso 1 1 calc R . . . .
 C5 C 0.1309(3) 0.1176(4) 0.6407(3) 0.0178(9) Uani 1 1 d . . . . .
 C12 C 0.2511(3) 0.0138(4) 0.2787(3) 0.0207(10) Uani 1 1 d . . . . .
 H12 H 0.274579 0.003699 0.233807 0.025 Uiso 1 1 calc R . . . .
 C10 C 0.2323(3) 0.0610(4) 0.4023(3) 0.0180(9) Uani 1 1 d . . . . .
 C9 C 0.2492(3) 0.1037(4) 0.4854(3) 0.0196(10) Uani 1 1 d . . . . .
 C14 C 0.1021(3) -0.0853(4) 0.2262(3) 0.0195(10) Uani 1 1 d . . . . .
 C30 C 0.3578(4) 0.2723(5) 0.5147(3) 0.0245(11) Uani 1 1 d . . . . .
 C25 C 0.4082(3) 0.0731(5) 0.5535(3) 0.0243(11) Uani 1 1 d . . . . .
 C15 C 0.1244(3) -0.1115(4) 0.1461(3) 0.0197(10) Uani 1 1 d . . . . .
 C6 C 0.2065(3) 0.1398(4) 0.6171(3) 0.0217(10) Uani 1 1 d . . . . .
 H6 H 0.257988 0.174204 0.648028 0.026 Uiso 1 1 calc R . . . .
 C28 C 0.5140(4) 0.2357(5) 0.5753(4) 0.0303(12) Uani 1 1 d . . . . .
 C29 C 0.4445(4) 0.3128(5) 0.5428(3) 0.0272(11) Uani 1 1 d . . . . .
 H29 H 0.456279 0.393029 0.539679 0.033 Uiso 1 1 calc R . . . .
 C20 C 0.1550(3) -0.2233(5) 0.1311(3) 0.0240(11) Uani 1 1 d . . . . .
 C13 C 0.1659(3) -0.0236(4) 0.2863(3) 0.0190(10) Uani 1 1 d . . . . .
 C27 C 0.4943(4) 0.1165(5) 0.5804(3) 0.0281(12) Uani 1 1 d . . . . .
 H27 H 0.539842 0.064022 0.602342 0.034 Uiso 1 1 calc R . . . .
 C18 C 0.1526(3) -0.1619(5) -0.0061(3) 0.0265(12) Uani 1 1 d . . . . .
 C3 C 0.1188(3) 0.1972(5) 0.7872(3) 0.0239(11) Uani 1 1 d . . . . .
 H3 H 0.172164 0.235480 0.808969 0.029 Uiso 1 1 calc R . . . .
 C21 C 0.1741(4) -0.3172(5) 0.1958(3) 0.0307(12) Uani 1 1 d . . . . .
 H21A H 0.206263 -0.283025 0.246099 0.046 Uiso 1 1 calc GR . . . .
 H21B H 0.208694 -0.378959 0.180101 0.046 Uiso 1 1 calc GR . . . .
 H21C H 0.119329 -0.349456 0.202450 0.046 Uiso 1 1 calc GR . . . .
 C26 C 0.3895(4) -0.0554(5) 0.5622(4) 0.0305(12) Uani 1 1 d . . . . .
 H26A H 0.358144 -0.065334 0.603774 0.046 Uiso 1 1 calc GR . . . .
 H26B H 0.444211 -0.098307 0.576622 0.046 Uiso 1 1 calc GR . . . .
 H26C H 0.354010 -0.084959 0.511627 0.046 Uiso 1 1 calc GR . . . .
 C19 C 0.1696(4) -0.2468(5) 0.0547(3) 0.0274(11) Uani 1 1 d . . . . .
 H19 H 0.191126 -0.320486 0.044488 0.033 Uiso 1 1 calc R . . . .
 C17 C 0.1232(4) -0.0509(5) 0.0106(3) 0.0279(12) Uani 1 1 d . . . . .
 H17 H 0.112523 0.006731 -0.029628 0.033 Uiso 1 1 calc R . . . .
 C31 C 0.2862(4) 0.3609(5) 0.4810(4) 0.0394(15) Uani 1 1 d . . . . .
 H31A H 0.283250 0.374092 0.424579 0.059 Uiso 1 1 calc GR . . . .
 H31B H 0.299181 0.434028 0.510113 0.059 Uiso 1 1 calc GR . . . .
 H31C H 0.230370 0.330972 0.486622 0.059 Uiso 1 1 calc GR . . . .
 C16 C 0.1096(4) -0.0244(5) 0.0866(3) 0.0243(11) Uani 1 1 d . . . . .
 C22 C 0.0808(4) 0.0973(5) 0.1040(3) 0.0341(13) Uani 1 1 d . . . . .
 H22A H 0.030957 0.091643 0.127595 0.051 Uiso 1 1 calc GR . . . .
 H22B H 0.064274 0.141550 0.054332 0.051 Uiso 1 1 calc GR . . . .
 H22C H 0.128583 0.136704 0.141115 0.051 Uiso 1 1 calc GR . . . .
 C23 C 0.1644(4) -0.1885(6) -0.0904(3) 0.0362(14) Uani 1 1 d . . . . .
 H23A H 0.195252 -0.262146 -0.089536 0.054 Uiso 1 1 calc GR . . . .
 H23B H 0.197929 -0.126229 -0.107021 0.054 Uiso 1 1 calc GR . . . .
 H23C H 0.107417 -0.193941 -0.127998 0.054 Uiso 1 1 calc GR . . . .
 C33 C 0.4774(5) -0.1091(7) 0.2133(5) 0.0507(18) Uani 1 1 d . . . . .
 H33 H 0.480445 -0.150768 0.264466 0.061 Uiso 1 1 calc R . . . .
 C32 C 0.6076(4) 0.2816(6) 0.6028(4) 0.0425(15) Uani 1 1 d . . . . .
 H32A H 0.626799 0.309805 0.556706 0.064 Uiso 1 1 calc GR . . . .
 H32B H 0.645912 0.218920 0.628555 0.064 Uiso 1 1 calc GR . . . .
 H32C H 0.609552 0.345139 0.640660 0.064 Uiso 1 1 calc GR . . . .


_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
 Pd2 N2 2.002(4) 3_556 ?
 Pd2 N1 1.959(4) . ?
 Pd2 N3 2.028(4) 3_556 ?
 Pd2 C7 1.971(5) . ?
 Cl2 C33 1.772(8) . ?
 Cl3 C33 1.737(8) . ?
 Cl1 C33 1.744(8) . ?
 N2 C7 1.304(7) . ?
 N2 C8 1.416(6) . ?
 N1 C1 1.383(7) . ?
 N1 C4 1.340(7) . ?
 N3 C10 1.356(6) . ?
 N3 C13 1.382(6) . ?
 C7 C5 1.476(7) . ?
 C8 C9 1.371(8) . ?
 C8 C6 1.454(7) . ?
 C1 C2 1.442(7) . ?
 C1 C14 1.389(7) 3_556 ?
 C11 C12 1.382(7) . ?
 C11 C10 1.418(7) . ?
 C4 C5 1.462(7) . ?
 C4 C3 1.426(7) . ?
 C24 C9 1.487(7) . ?
 C24 C30 1.402(8) . ?
 C24 C25 1.400(7) . ?
 C2 C3 1.359(8) . ?
 C5 C6 1.359(7) . ?
 C12 C13 1.431(7) . ?
 C10 C9 1.454(7) . ?
 C14 C15 1.514(7) . ?
 C14 C13 1.422(7) . ?
 C30 C29 1.396(8) . ?
 C30 C31 1.504(8) . ?
 C25 C27 1.397(8) . ?
 C25 C26 1.496(8) . ?
 C15 C20 1.396(7) . ?
 C15 C16 1.391(7) . ?
 C28 C29 1.394(8) . ?
 C28 C27 1.390(8) . ?
 C28 C32 1.511(7) . ?
 C20 C21 1.505(8) . ?
 C20 C19 1.398(8) . ?
 C18 C19 1.388(8) . ?
 C18 C17 1.389(8) . ?
 C18 C23 1.519(7) . ?
 C17 C16 1.392(8) . ?
 C16 C22 1.499(8) . ?

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
 N2 Pd2 N3 91.80(17) 3_556 3_556 ?
 N1 Pd2 N2 177.98(18) . 3_556 ?
 N1 Pd2 N3 90.13(17) . 3_556 ?
 N1 Pd2 C7 80.64(19) . . ?
 C7 Pd2 N2 97.42(19) . 3_556 ?
 C7 Pd2 N3 170.72(18) . 3_556 ?
 C7 N2 Pd2 125.1(3) . 3_556 ?
 C7 N2 C8 109.6(4) . . ?
 C8 N2 Pd2 125.3(3) . 3_556 ?
 C1 N1 Pd2 131.0(3) . . ?
 C4 N1 Pd2 120.4(3) . . ?
 C4 N1 C1 108.5(4) . . ?
 C10 N3 Pd2 127.0(3) . 3_556 ?
 C10 N3 C13 107.4(4) . . ?
 C13 N3 Pd2 125.5(3) . 3_556 ?
 N2 C7 Pd2 137.5(4) . . ?
 N2 C7 C5 108.5(4) . . ?
 C5 C7 Pd2 114.0(3) . . ?
 N2 C8 C6 107.5(4) . . ?
 C9 C8 N2 126.1(4) . . ?
 C9 C8 C6 126.4(5) . . ?
 N1 C1 C2 107.2(4) . . ?
 N1 C1 C14 122.0(4) . 3_556 ?
 C14 C1 C2 130.8(5) 3_556 . ?
 C12 C11 C10 107.4(4) . . ?
 N1 C4 C5 112.2(4) . . ?
 N1 C4 C3 109.7(5) . . ?
 C3 C4 C5 138.1(5) . . ?
 C30 C24 C9 121.1(5) . . ?
 C25 C24 C9 119.1(5) . . ?
 C25 C24 C30 119.7(5) . . ?
 C3 C2 C1 107.6(4) . . ?
 C4 C5 C7 112.7(4) . . ?
 C6 C5 C7 108.2(4) . . ?
 C6 C5 C4 139.0(5) . . ?
 C11 C12 C13 106.3(5) . . ?
 N3 C10 C11 109.8(4) . . ?
 N3 C10 C9 124.2(5) . . ?
 C11 C10 C9 126.0(5) . . ?
 C8 C9 C24 119.1(4) . . ?
 C8 C9 C10 125.5(5) . . ?
 C10 C9 C24 115.4(4) . . ?
 C1 C14 C15 116.3(4) 3_556 . ?
 C1 C14 C13 125.8(5) 3_556 . ?
 C13 C14 C15 117.9(5) . . ?
 C24 C30 C31 121.9(5) . . ?
 C29 C30 C24 119.5(5) . . ?
 C29 C30 C31 118.6(5) . . ?
 C24 C25 C26 120.5(5) . . ?
 C27 C25 C24 119.2(5) . . ?
 C27 C25 C26 120.2(5) . . ?
 C20 C15 C14 120.4(5) . . ?
 C16 C15 C14 118.7(5) . . ?
 C16 C15 C20 120.7(5) . . ?
 C5 C6 C8 106.1(4) . . ?
 C29 C28 C32 120.4(6) . . ?
 C27 C28 C29 118.0(5) . . ?
 C27 C28 C32 121.7(5) . . ?
 C28 C29 C30 121.6(5) . . ?
 C15 C20 C21 121.3(5) . . ?
 C15 C20 C19 118.9(5) . . ?
 C19 C20 C21 119.8(5) . . ?
 N3 C13 C12 109.1(4) . . ?
 N3 C13 C14 125.4(5) . . ?
 C14 C13 C12 125.5(5) . . ?
 C28 C27 C25 122.0(5) . . ?
 C19 C18 C17 119.0(5) . . ?
 C19 C18 C23 121.4(5) . . ?
 C17 C18 C23 119.6(5) . . ?
 C2 C3 C4 106.9(4) . . ?
 C18 C19 C20 121.0(5) . . ?
 C18 C17 C16 121.2(5) . . ?
 C15 C16 C17 119.1(5) . . ?
 C15 C16 C22 120.8(5) . . ?
 C17 C16 C22 120.1(5) . . ?
 Cl3 C33 Cl2 109.9(4) . . ?
 Cl3 C33 Cl1 111.1(4) . . ?
 Cl1 C33 Cl2 111.1(5) . . ?

_olex2_date_sample_data_collection  2020-12-03
_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  2.592
_oxdiff_exptl_absorpt_empirical_full_min  0.630
