#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:29:25 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224268 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/92/7049208.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7049208
loop_
_publ_author_name
'Song, Jintong'
'Wang, Man'
'Xu, Xuemei'
'Qu, Lang'
'Zhou, Xiangge'
'Xiang, Haifeng'
_publ_section_title
;
 1D-helical platinum(ii) complexes bearing metal-induced chirality,
 aggregation-induced red phosphorescence, and circularly polarized
 luminescence.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4420
_journal_page_last               4428
_journal_paper_doi               10.1039/c8dt03615b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C60 H34 F4 N4 O2 Pt2'
_chemical_formula_sum            'C60 H34 F4 N4 O2 Pt2'
_chemical_formula_weight         1309.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-12-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-12-25 deposited with the CCDC.    2019-02-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.229(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.4923(19)
_cell_length_b                   13.6885(15)
_cell_length_c                   20.0091(16)
_cell_measurement_reflns_used    2630
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.0700
_cell_measurement_theta_min      3.4660
_cell_volume                     5024.7(9)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  22.00   1.00   12.50    --  -14.97 -99.00-150.00   40
  2  ω    -36.00  53.00   1.00   12.50    --  -14.97  77.00  60.00   89
  3  ω    -34.00  51.00   1.00   12.50    --  -14.97  38.00-150.00   85
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0032895000
_diffrn_orient_matrix_UB_12      0.0497366000
_diffrn_orient_matrix_UB_13      0.0099146000
_diffrn_orient_matrix_UB_21      0.0365979000
_diffrn_orient_matrix_UB_22      -0.0084420000
_diffrn_orient_matrix_UB_23      0.0141119000
_diffrn_orient_matrix_UB_31      0.0120320000
_diffrn_orient_matrix_UB_32      0.0119822000
_diffrn_orient_matrix_UB_33      -0.0312719000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0763
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11109
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.148
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.625
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.26501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       granular
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.421
_refine_diff_density_min         -1.492
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5134
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0502
_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)+(0.0592P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1128
_refine_ls_wR_factor_ref         0.1290
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3806
_reflns_number_total             5134
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03615b2.cif
_cod_data_source_block           180412_s1_sjt
_cod_depositor_comments
'Adding full bibliography for 7049205--7049208.cif.'
_cod_database_code               7049208
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         C328
_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.
;
_shelx_estimated_absorpt_t_max   0.334
_shelx_estimated_absorpt_t_min   0.244
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C14(H14), C15(H15), C16(H16),
 C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C27(H27), C29(H29)
;
_olex2_date_sample_data_collection 2018-04-12
_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 2.861
_oxdiff_exptl_absorpt_empirical_full_min 0.546
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'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Pt1 Pt 0.59152(2) 0.31773(2) 0.35278(2) 0.03572(13) Uani 1 1 d .
F1 F 0.5835(5) 0.6771(4) 0.2639(3) 0.093(2) Uani 1 1 d .
F2 F 0.5451(4) 0.6472(4) 0.4887(3) 0.0829(19) Uani 1 1 d .
O1 O 0.5903(3) 0.1718(4) 0.3228(3) 0.0443(14) Uani 1 1 d .
N1 N 0.5929(3) 0.2604(4) 0.4475(3) 0.0321(14) Uani 1 1 d .
N2 N 0.5978(3) 0.3676(5) 0.2598(3) 0.0402(16) Uani 1 1 d .
C1 C 0.6427(5) 0.2943(6) 0.5009(4) 0.043(2) Uani 1 1 d .
C2 C 0.6961(5) 0.3617(6) 0.4896(4) 0.0440(19) Uani 1 1 d .
H2 H 0.6971 0.3876 0.4467 0.053 Uiso 1 1 calc R
C3 C 0.7471(5) 0.3901(6) 0.5413(4) 0.050(2) Uani 1 1 d .
H3 H 0.7846 0.4318 0.5328 0.060 Uiso 1 1 calc R
C4 C 0.7436(6) 0.3566(7) 0.6077(5) 0.064(3) Uani 1 1 d .
H4 H 0.7768 0.3794 0.6430 0.076 Uiso 1 1 calc R
C5 C 0.6918(6) 0.2913(7) 0.6198(5) 0.055(2) Uani 1 1 d .
H5 H 0.6903 0.2681 0.6633 0.066 Uiso 1 1 calc R
C6 C 0.6402(5) 0.2585(6) 0.5666(4) 0.046(2) Uani 1 1 d .
C7 C 0.5889(5) 0.1857(6) 0.5759(4) 0.051(2) Uani 1 1 d .
H7 H 0.5850 0.1626 0.6190 0.061 Uiso 1 1 calc R
C8 C 0.5450(5) 0.1486(6) 0.5224(4) 0.046(2) Uani 1 1 d .
H8 H 0.5133 0.0977 0.5287 0.056 Uiso 1 1 calc R
C9 C 0.5474(5) 0.1876(5) 0.4565(4) 0.0384(19) Uani 1 1 d .
C10 C 0.5021(5) 0.1413(6) 0.3997(4) 0.0398(19) Uani 1 1 d .
C11 C 0.5289(5) 0.1307(6) 0.3347(4) 0.0390(18) Uani 1 1 d .
C12 C 0.4868(4) 0.0763(5) 0.2845(4) 0.0380(17) Uani 1 1 d .
C13 C 0.4200(5) 0.0359(5) 0.2952(4) 0.045(2) Uani 1 1 d .
C14 C 0.3758(5) -0.0214(6) 0.2465(5) 0.054(2) Uani 1 1 d .
H14 H 0.3929 -0.0350 0.2057 0.065 Uiso 1 1 calc R
C15 C 0.3098(6) -0.0569(7) 0.2575(5) 0.072(3) Uani 1 1 d .
H15 H 0.2822 -0.0931 0.2243 0.086 Uiso 1 1 calc R
C16 C 0.2833(6) -0.0392(8) 0.3184(6) 0.071(3) Uani 1 1 d .
H16 H 0.2383 -0.0642 0.3259 0.085 Uiso 1 1 calc R
C17 C 0.3228(6) 0.0143(7) 0.3668(5) 0.060(3) Uani 1 1 d .
H17 H 0.3038 0.0267 0.4068 0.072 Uiso 1 1 calc R
C18 C 0.3922(5) 0.0519(6) 0.3579(4) 0.046(2) Uani 1 1 d .
C19 C 0.4348(5) 0.1041(6) 0.4087(4) 0.047(2) Uani 1 1 d .
H19 H 0.4171 0.1139 0.4497 0.056 Uiso 1 1 calc R
C20 C 0.6078(5) 0.3095(6) 0.2081(4) 0.049(2) Uani 1 1 d .
H20 H 0.6088 0.2422 0.2145 0.059 Uiso 1 1 calc R
C21 C 0.6168(6) 0.3457(8) 0.1461(4) 0.065(3) Uani 1 1 d .
H21 H 0.6225 0.3036 0.1106 0.078 Uiso 1 1 calc R
C22 C 0.6171(5) 0.4440(8) 0.1370(4) 0.060(3) Uani 1 1 d .
H22 H 0.6248 0.4695 0.0954 0.072 Uiso 1 1 calc R
C23 C 0.6063(5) 0.5053(7) 0.1882(4) 0.054(2) Uani 1 1 d .
H23 H 0.6056 0.5725 0.1812 0.065 Uiso 1 1 calc R
C24 C 0.5963(5) 0.4676(6) 0.2513(4) 0.044(2) Uani 1 1 d .
C25 C 0.5859(5) 0.5202(6) 0.3125(4) 0.045(2) Uani 1 1 d .
C26 C 0.5781(6) 0.6177(7) 0.3174(5) 0.060(3) Uani 1 1 d .
C27 C 0.5636(6) 0.6645(7) 0.3769(5) 0.066(3) Uani 1 1 d .
H27 H 0.5574 0.7317 0.3794 0.080 Uiso 1 1 calc R
C28 C 0.5594(6) 0.6049(7) 0.4302(5) 0.063(3) Uani 1 1 d .
C29 C 0.5673(5) 0.5049(6) 0.4296(4) 0.047(2) Uani 1 1 d .
H29 H 0.5628 0.4686 0.4682 0.056 Uiso 1 1 calc R
C30 C 0.5821(4) 0.4584(6) 0.3712(4) 0.0422(19) Uani 1 1 d .
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'
F F 0.0171 0.0103 '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'
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_3
N1 Pt1 O1 84.1(2) .
N2 Pt1 O1 93.4(3) .
N2 Pt1 N1 175.3(2) .
C30 Pt1 O1 172.3(3) .
C30 Pt1 N1 101.1(3) .
C30 Pt1 N2 81.8(3) .
C11 O1 Pt1 109.6(5) .
C1 N1 Pt1 120.6(5) .
C9 N1 Pt1 118.6(5) .
C9 N1 C1 120.7(6) .
C20 N2 Pt1 123.2(6) .
C20 N2 C24 119.8(7) .
C24 N2 Pt1 116.8(5) .
N1 C1 C6 120.1(8) .
C2 C1 N1 120.6(7) .
C2 C1 C6 119.3(8) .
C3 C2 C1 120.1(8) .
C2 C3 C4 120.7(9) .
C5 C4 C3 120.0(9) .
C4 C5 C6 120.1(9) .
C1 C6 C5 119.7(9) .
C7 C6 C1 118.1(8) .
C7 C6 C5 122.0(8) .
C8 C7 C6 120.5(8) .
C7 C8 C9 120.2(8) .
N1 C9 C8 119.9(8) .
N1 C9 C10 121.7(7) .
C8 C9 C10 118.3(7) .
C11 C10 C9 120.6(7) .
C19 C10 C9 119.6(7) .
C19 C10 C11 119.7(8) .
O1 C11 C10 121.2(7) .
O1 C11 C12 120.7(7) .
C12 C11 C10 118.1(7) .
C11 C12 C12 115.9(8) 2_655
C13 C12 C11 121.5(7) .
C13 C12 C12 122.1(8) 2_655
C12 C13 C14 123.7(8) .
C12 C13 C18 119.8(7) .
C14 C13 C18 116.4(8) .
C15 C14 C13 122.3(9) .
C14 C15 C16 120.2(10) .
C17 C16 C15 120.3(10) .
C16 C17 C18 121.6(9) .
C17 C18 C13 119.1(8) .
C19 C18 C13 118.9(8) .
C19 C18 C17 122.0(8) .
C10 C19 C18 121.8(7) .
N2 C20 C21 122.2(8) .
C22 C21 C20 119.0(9) .
C23 C22 C21 120.4(8) .
C22 C23 C24 120.2(8) .
N2 C24 C23 118.3(7) .
N2 C24 C25 113.0(7) .
C23 C24 C25 128.6(8) .
C24 C25 C30 114.5(7) .
C26 C25 C24 125.4(8) .
C26 C25 C30 120.0(8) .
F1 C26 C27 115.9(8) .
C25 C26 F1 121.0(8) .
C25 C26 C27 123.1(9) .
C28 C27 C26 115.4(8) .
F2 C28 C29 117.5(8) .
C27 C28 F2 117.3(8) .
C27 C28 C29 125.2(9) .
C28 C29 C30 119.7(8) .
C25 C30 Pt1 113.8(6) .
C29 C30 Pt1 129.5(6) .
C29 C30 C25 116.6(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 O1 2.085(5) .
Pt1 N1 2.048(6) .
Pt1 N2 1.998(6) .
Pt1 C30 1.972(8) .
F1 C26 1.359(10) .
F2 C28 1.362(10) .
O1 C11 1.315(9) .
N1 C1 1.400(10) .
N1 C9 1.331(9) .
N2 C20 1.337(10) .
N2 C24 1.379(10) .
C1 C2 1.391(12) .
C1 C6 1.409(11) .
C2 C3 1.366(11) .
C3 C4 1.414(12) .
C4 C5 1.354(13) .
C5 C6 1.410(12) .
C6 C7 1.405(12) .
C7 C8 1.356(12) .
C8 C9 1.428(10) .
C9 C10 1.469(11) .
C10 C11 1.455(10) .
C10 C19 1.378(11) .
C11 C12 1.406(11) .
C12 C12 1.521(14) 2_655
C12 C13 1.394(11) .
C13 C14 1.426(12) .
C13 C18 1.430(11) .
C14 C15 1.358(12) .
C15 C16 1.390(13) .
C16 C17 1.352(14) .
C17 C18 1.415(12) .
C18 C19 1.401(12) .
C20 C21 1.364(11) .
C21 C22 1.358(13) .
C22 C23 1.358(12) .
C23 C24 1.399(10) .
C24 C25 1.454(11) .
C25 C26 1.347(12) .
C25 C30 1.456(11) .
C26 C27 1.405(13) .
C27 C28 1.353(12) .
C28 C29 1.377(12) .
C29 C30 1.388(11) .
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_4
Pt1 O1 C11 C10 -48.5(9) . .
Pt1 O1 C11 C12 130.6(6) . .
Pt1 N1 C1 C2 -5.2(10) . .
Pt1 N1 C1 C6 176.1(5) . .
Pt1 N1 C9 C8 -177.6(5) . .
Pt1 N1 C9 C10 6.3(9) . .
Pt1 N2 C20 C21 -175.6(7) . .
Pt1 N2 C24 C23 175.0(6) . .
Pt1 N2 C24 C25 -3.4(10) . .
F1 C26 C27 C28 -179.1(10) . .
F2 C28 C29 C30 -179.8(8) . .
O1 C11 C12 C12 -5.2(10) . 2_655
O1 C11 C12 C13 -177.1(7) . .
N1 C1 C2 C3 -176.2(7) . .
N1 C1 C6 C5 178.5(7) . .
N1 C1 C6 C7 2.9(11) . .
N1 C9 C10 C11 33.9(11) . .
N1 C9 C10 C19 -148.7(7) . .
N2 C20 C21 C22 1.5(16) . .
N2 C24 C25 C26 -175.8(9) . .
N2 C24 C25 C30 2.3(11) . .
C1 N1 C9 C8 5.1(10) . .
C1 N1 C9 C10 -171.0(7) . .
C1 C2 C3 C4 -4.3(12) . .
C1 C6 C7 C8 2.3(12) . .
C2 C1 C6 C5 -0.2(12) . .
C2 C1 C6 C7 -175.8(8) . .
C2 C3 C4 C5 3.9(13) . .
C3 C4 C5 C6 -1.6(13) . .
C4 C5 C6 C1 -0.2(13) . .
C4 C5 C6 C7 175.3(8) . .
C5 C6 C7 C8 -173.2(8) . .
C6 C1 C2 C3 2.5(12) . .
C6 C7 C8 C9 -3.9(13) . .
C7 C8 C9 N1 0.2(12) . .
C7 C8 C9 C10 176.4(8) . .
C8 C9 C10 C11 -142.2(8) . .
C8 C9 C10 C19 35.2(11) . .
C9 N1 C1 C2 172.0(7) . .
C9 N1 C1 C6 -6.7(10) . .
C9 C10 C11 O1 -7.9(11) . .
C9 C10 C11 C12 173.0(7) . .
C9 C10 C19 C18 -174.4(7) . .
C10 C11 C12 C12 173.9(6) . 2_655
C10 C11 C12 C13 2.1(11) . .
C11 C10 C19 C18 3.0(12) . .
C11 C12 C13 C14 -178.7(8) . .
C11 C12 C13 C18 1.7(12) . .
C12 C12 C13 C14 9.9(11) 2_655 .
C12 C12 C13 C18 -169.6(6) 2_655 .
C12 C13 C14 C15 -177.6(9) . .
C12 C13 C18 C17 177.1(7) . .
C12 C13 C18 C19 -3.1(12) . .
C13 C14 C15 C16 -1.0(15) . .
C13 C18 C19 C10 0.8(12) . .
C14 C13 C18 C17 -2.6(11) . .
C14 C13 C18 C19 177.2(7) . .
C14 C15 C16 C17 0.7(16) . .
C15 C16 C17 C18 -1.4(15) . .
C16 C17 C18 C13 2.4(13) . .
C16 C17 C18 C19 -177.4(9) . .
C17 C18 C19 C10 -179.4(8) . .
C18 C13 C14 C15 2.0(13) . .
C19 C10 C11 O1 174.7(7) . .
C19 C10 C11 C12 -4.4(11) . .
C20 N2 C24 C23 -0.7(12) . .
C20 N2 C24 C25 -179.2(8) . .
C20 C21 C22 C23 -2.2(16) . .
C21 C22 C23 C24 1.4(15) . .
C22 C23 C24 N2 0.1(13) . .
C22 C23 C24 C25 178.2(9) . .
C23 C24 C25 C26 5.9(16) . .
C23 C24 C25 C30 -176.0(9) . .
C24 N2 C20 C21 -0.1(13) . .
C24 C25 C26 F1 -3.8(16) . .
C24 C25 C26 C27 175.9(10) . .
C24 C25 C30 Pt1 -0.2(10) . .
C24 C25 C30 C29 -175.8(8) . .
C25 C26 C27 C28 1.2(17) . .
C26 C25 C30 Pt1 178.0(8) . .
C26 C25 C30 C29 2.4(13) . .
C26 C27 C28 F2 -179.7(9) . .
C26 C27 C28 C29 -0.7(18) . .
C27 C28 C29 C30 1.1(17) . .
C28 C29 C30 Pt1 -176.7(8) . .
C28 C29 C30 C25 -1.9(13) . .
C30 C25 C26 F1 178.2(8) . .
C30 C25 C26 C27 -2.2(16) . .
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
1 -0.311 0.250 -0.061 500.3 88.5
2 0.172 0.750 0.922 500.3 88.5
