#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:22:27 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263695 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559996.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_1559996
loop_
_publ_author_name
'Maisuls, Iván'
'Wang, Cui'
'Gutierrez Suburu, Matias E.'
'Wilde, Sebastian'
'Daniliuc, Constantin-Gabriel'
'Brünink, Dana'
'Doltsinis, Nikos L.'
'Ostendorp, Stefan'
'Wilde, Gerhard'
'Kösters, Jutta'
'Resch-Genger, Ute'
'Strassert, Cristian A.'
_publ_section_title
;
 Ligand-controlled and nanoconfinement-boosted luminescence employing
 Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual
 emitters towards self-referenced oxygen reporters
;
_journal_issue                   9
_journal_name_full               'Chemical Science'
_journal_page_first              3270
_journal_page_last               3281
_journal_paper_doi               10.1039/D0SC06126C
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C29 H17 F4 N3 O Pt'
_chemical_formula_weight         694.55
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-08-19 deposited with the CCDC.	2021-01-06 downloaded from the CCDC.
;
_cell_angle_alpha                118.283(1)
_cell_angle_beta                 95.325(1)
_cell_angle_gamma                104.556(1)
_cell_formula_units_Z            2
_cell_length_a                   9.6007(2)
_cell_length_b                   11.7181(2)
_cell_length_c                   12.0959(3)
_cell_measurement_reflns_used    3806
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      4.08
_cell_volume                     1123.48(4)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'XP-SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Nonius KappaCCD APEXII'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Montel mirror'
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11240
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.19
_exptl_absorpt_coefficient_mu    6.309
_exptl_absorpt_correction_T_max  0.7864
_exptl_absorpt_correction_T_min  0.3651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.053
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.665
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         3910
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0241
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0377P)²+2.4820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0628
_reflns_number_gt                3831
_reflns_number_total             3910
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0sc06126c2.cif
_cod_data_source_block           dan9178
_cod_depositor_comments
'Adding full bibliography for 1559992--1559996.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1559996
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.288325(14) -0.515924(13) 0.415725(12) 0.02388(7) Uani 1 1 d . . .
F1 F -0.1448(3) -0.9618(3) 0.3513(3) 0.0512(7) Uani 1 1 d . . .
F2 F 0.0743(3) -0.9569(3) -0.0779(2) 0.0403(6) Uani 1 1 d . . .
F3 F 0.0036(4) -0.5561(3) 0.7518(3) 0.0536(8) Uani 1 1 d . . .
F4 F 0.5477(3) -0.6471(3) 0.0324(3) 0.0494(7) Uani 1 1 d . . .
C1 C 0.1272(5) -0.6281(4) 0.4545(4) 0.0270(8) Uani 1 1 d . . .
C2 C 0.0383(5) -0.7667(5) 0.3793(4) 0.0338(10) Uani 1 1 d . . .
H2 H 0.0459 -0.8208 0.2932 0.041 Uiso 1 1 calc R . .
C3 C -0.0599(5) -0.8255(5) 0.4287(5) 0.0380(10) Uani 1 1 d . . .
C4 C -0.0762(5) -0.7567(5) 0.5520(5) 0.0407(11) Uani 1 1 d . . .
H4 H -0.1451 -0.7995 0.5839 0.049 Uiso 1 1 calc R . .
C5 C 0.0144(5) -0.6209(5) 0.6268(4) 0.0375(10) Uani 1 1 d . . .
C6 C 0.1121(5) -0.5534(5) 0.5827(4) 0.0306(9) Uani 1 1 d . . .
C7 C 0.2095(5) -0.4087(5) 0.6633(4) 0.0323(9) Uani 1 1 d . . .
N8 N 0.3088(4) -0.3690(4) 0.6035(3) 0.0270(7) Uani 1 1 d . . .
C9 C 0.2050(6) -0.3172(5) 0.7872(4) 0.0401(11) Uani 1 1 d . . .
H9 H 0.1366 -0.3459 0.8284 0.048 Uiso 1 1 calc R . .
C10 C 0.3018(6) -0.1833(5) 0.8499(4) 0.0423(11) Uani 1 1 d . . .
H10 H 0.2996 -0.1191 0.9348 0.051 Uiso 1 1 calc R . .
C11 C 0.4010(6) -0.1426(5) 0.7904(4) 0.0378(10) Uani 1 1 d . . .
H11 H 0.4678 -0.0506 0.8340 0.045 Uiso 1 1 calc R . .
C12 C 0.4033(5) -0.2387(4) 0.6635(4) 0.0295(9) Uani 1 1 d . . .
N13 N 0.5055(4) -0.1932(4) 0.6055(3) 0.0289(7) Uani 1 1 d . . .
C14 C 0.5467(5) -0.2627(4) 0.4884(4) 0.0272(8) Uani 1 1 d . . .
N15 N 0.4683(4) -0.3950(4) 0.3975(3) 0.0253(7) Uani 1 1 d . . .
C16 C 0.6701(5) -0.1892(4) 0.4663(4) 0.0307(9) Uani 1 1 d . . .
H16 H 0.7240 -0.0955 0.5292 0.037 Uiso 1 1 calc R . .
C17 C 0.7117(5) -0.2539(4) 0.3533(4) 0.0309(9) Uani 1 1 d . . .
H17 H 0.7940 -0.2047 0.3371 0.037 Uiso 1 1 calc R . .
C18 C 0.6337(5) -0.3914(4) 0.2624(4) 0.0326(9) Uani 1 1 d . . .
H18 H 0.6643 -0.4377 0.1852 0.039 Uiso 1 1 calc R . .
C19 C 0.5123(5) -0.4595(4) 0.2853(4) 0.0274(8) Uani 1 1 d . . .
C20 C 0.4093(5) -0.6001(4) 0.1939(4) 0.0286(9) Uani 1 1 d . . .
C21 C 0.2795(5) -0.6444(4) 0.2308(4) 0.0257(8) Uani 1 1 d . . .
C22 C 0.1663(5) -0.7652(4) 0.1341(4) 0.0286(9) Uani 1 1 d . . .
H22 H 0.0749 -0.7950 0.1531 0.034 Uiso 1 1 calc R . .
C23 C 0.1862(5) -0.8405(4) 0.0131(4) 0.0305(9) Uani 1 1 d . . .
C24 C 0.3147(5) -0.8059(5) -0.0237(4) 0.0358(10) Uani 1 1 d . . .
H24 H 0.3275 -0.8623 -0.1071 0.043 Uiso 1 1 calc R . .
C25 C 0.4229(5) -0.6838(5) 0.0689(4) 0.0341(10) Uani 1 1 d . . .
C31 C 0.5930(5) -0.0470(4) 0.6847(4) 0.0289(8) Uani 1 1 d . . .
C32 C 0.7249(5) -0.0044(4) 0.7743(4) 0.0332(9) Uani 1 1 d . . .
H32 H 0.7597 -0.0704 0.7813 0.040 Uiso 1 1 calc R . .
C33 C 0.8046(5) 0.1342(5) 0.8529(4) 0.0328(9) Uani 1 1 d . . .
H33 H 0.8950 0.1635 0.9136 0.039 Uiso 1 1 calc R . .
C34 C 0.7539(4) 0.2311(4) 0.8438(4) 0.0274(8) Uani 1 1 d . . .
C35 C 0.6231(5) 0.1884(4) 0.7534(4) 0.0300(9) Uani 1 1 d . . .
H35 H 0.5886 0.2540 0.7456 0.036 Uiso 1 1 calc R . .
C36 C 0.5435(5) 0.0486(4) 0.6745(4) 0.0287(8) Uani 1 1 d . . .
H36 H 0.4539 0.0190 0.6129 0.034 Uiso 1 1 calc R . .
O1 O 0.8390(3) 0.3643(3) 0.9291(3) 0.0344(7) Uani 1 1 d . . .
C37 C 0.7936(5) 0.4696(4) 0.9228(5) 0.0364(10) Uani 1 1 d . . .
H37A H 0.7900 0.4571 0.8364 0.055 Uiso 1 1 calc R . .
H37B H 0.8649 0.5603 0.9881 0.055 Uiso 1 1 calc R . .
H37C H 0.6948 0.4632 0.9397 0.055 Uiso 1 1 calc R . .
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'
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'
F F 0.0171 0.0103 '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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C21 Pt1 C1 103.38(17) . . ?
C21 Pt1 N15 81.56(15) . . ?
C1 Pt1 N15 172.97(14) . . ?
C21 Pt1 N8 174.50(14) . . ?
C1 Pt1 N8 81.87(16) . . ?
N15 Pt1 N8 93.35(14) . . ?
C2 C1 C6 117.0(4) . . ?
C2 C1 Pt1 130.3(3) . . ?
C6 C1 Pt1 112.6(3) . . ?
C3 C2 C1 120.6(4) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C4 C3 F1 117.6(4) . . ?
C4 C3 C2 123.9(4) . . ?
F1 C3 C2 118.5(4) . . ?
C3 C4 C5 115.3(4) . . ?
C3 C4 H4 122.3 . . ?
C5 C4 H4 122.3 . . ?
F3 C5 C4 114.7(4) . . ?
F3 C5 C6 121.1(4) . . ?
C4 C5 C6 124.2(4) . . ?
C5 C6 C1 119.0(4) . . ?
C5 C6 C7 124.0(4) . . ?
C1 C6 C7 116.9(4) . . ?
N8 C7 C9 121.1(4) . . ?
N8 C7 C6 113.5(4) . . ?
C9 C7 C6 125.5(4) . . ?
C12 N8 C7 120.7(4) . . ?
C12 N8 Pt1 124.1(3) . . ?
C7 N8 Pt1 115.0(3) . . ?
C7 C9 C10 118.8(5) . . ?
C7 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
C11 C10 C9 120.5(4) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 119.5(4) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
N8 C12 N13 122.6(4) . . ?
N8 C12 C11 119.5(4) . . ?
N13 C12 C11 117.9(4) . . ?
C12 N13 C14 132.5(4) . . ?
C12 N13 C31 113.8(3) . . ?
C14 N13 C31 113.6(3) . . ?
N15 C14 C16 120.1(4) . . ?
N15 C14 N13 121.6(4) . . ?
C16 C14 N13 118.3(4) . . ?
C14 N15 C19 119.9(4) . . ?
C14 N15 Pt1 124.8(3) . . ?
C19 N15 Pt1 115.2(3) . . ?
C17 C16 C14 119.4(4) . . ?
C17 C16 H16 120.3 . . ?
C14 C16 H16 120.3 . . ?
C16 C17 C18 120.1(4) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 119.2(4) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C18 C19 N15 121.2(4) . . ?
C18 C19 C20 126.0(4) . . ?
N15 C19 C20 112.6(4) . . ?
C25 C20 C21 118.9(4) . . ?
C25 C20 C19 123.9(4) . . ?
C21 C20 C19 116.7(4) . . ?
C22 C21 C20 116.9(4) . . ?
C22 C21 Pt1 130.7(3) . . ?
C20 C21 Pt1 112.4(3) . . ?
C23 C22 C21 120.7(4) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
F2 C23 C22 119.1(4) . . ?
F2 C23 C24 116.9(4) . . ?
C22 C23 C24 123.9(4) . . ?
C25 C24 C23 115.4(4) . . ?
C25 C24 H24 122.3 . . ?
C23 C24 H24 122.3 . . ?
F4 C25 C24 115.8(4) . . ?
F4 C25 C20 120.4(4) . . ?
C24 C25 C20 123.8(4) . . ?
C36 C31 C32 120.0(4) . . ?
C36 C31 N13 120.4(4) . . ?
C32 C31 N13 119.6(4) . . ?
C33 C32 C31 119.5(4) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C34 120.5(4) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
O1 C34 C33 115.2(4) . . ?
O1 C34 C35 125.0(4) . . ?
C33 C34 C35 119.9(4) . . ?
C36 C35 C34 119.3(4) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C31 C36 C35 120.7(4) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C34 O1 C37 117.8(3) . . ?
O1 C37 H37A 109.5 . . ?
O1 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O1 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
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 C21 1.997(4) . ?
Pt1 C1 2.009(4) . ?
Pt1 N15 2.044(4) . ?
Pt1 N8 2.050(4) . ?
F1 C3 1.371(5) . ?
F2 C23 1.360(5) . ?
F3 C5 1.362(5) . ?
F4 C25 1.354(5) . ?
C1 C2 1.398(6) . ?
C1 C6 1.418(6) . ?
C2 C3 1.374(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.366(7) . ?
C4 C5 1.379(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(7) . ?
C6 C7 1.472(6) . ?
C7 N8 1.368(6) . ?
C7 C9 1.382(6) . ?
N8 C12 1.347(6) . ?
C9 C10 1.382(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.370(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.416(6) . ?
C11 H11 0.9500 . ?
C12 N13 1.399(6) . ?
N13 C14 1.414(5) . ?
N13 C31 1.459(5) . ?
C14 N15 1.350(5) . ?
C14 C16 1.408(6) . ?
N15 C19 1.373(5) . ?
C16 C17 1.369(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.369(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.472(6) . ?
C20 C25 1.401(6) . ?
C20 C21 1.421(6) . ?
C21 C22 1.405(6) . ?
C22 C23 1.367(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(7) . ?
C24 C25 1.378(6) . ?
C24 H24 0.9500 . ?
C31 C36 1.373(6) . ?
C31 C32 1.394(6) . ?
C32 C33 1.381(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(6) . ?
C33 H33 0.9500 . ?
C34 O1 1.359(5) . ?
C34 C35 1.390(6) . ?
C35 C36 1.389(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
O1 C37 1.438(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
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
C21 Pt1 C1 C2 6.4(4) . . . . ?
N15 Pt1 C1 C2 -127.7(10) . . . . ?
N8 Pt1 C1 C2 -175.3(4) . . . . ?
C21 Pt1 C1 C6 -178.6(3) . . . . ?
N15 Pt1 C1 C6 47.3(12) . . . . ?
N8 Pt1 C1 C6 -0.3(3) . . . . ?
C6 C1 C2 C3 0.8(6) . . . . ?
Pt1 C1 C2 C3 175.7(4) . . . . ?
C1 C2 C3 C4 -1.4(8) . . . . ?
C1 C2 C3 F1 179.9(4) . . . . ?
F1 C3 C4 C5 178.4(4) . . . . ?
C2 C3 C4 C5 -0.2(8) . . . . ?
C3 C4 C5 F3 -176.1(4) . . . . ?
C3 C4 C5 C6 2.5(7) . . . . ?
F3 C5 C6 C1 175.5(4) . . . . ?
C4 C5 C6 C1 -3.1(7) . . . . ?
F3 C5 C6 C7 -0.9(7) . . . . ?
C4 C5 C6 C7 -179.5(4) . . . . ?
C2 C1 C6 C5 1.3(6) . . . . ?
Pt1 C1 C6 C5 -174.4(3) . . . . ?
C2 C1 C6 C7 177.9(4) . . . . ?
Pt1 C1 C6 C7 2.2(5) . . . . ?
C5 C6 C7 N8 172.7(4) . . . . ?
C1 C6 C7 N8 -3.7(5) . . . . ?
C5 C6 C7 C9 -7.8(7) . . . . ?
C1 C6 C7 C9 175.7(4) . . . . ?
C9 C7 N8 C12 -1.0(6) . . . . ?
C6 C7 N8 C12 178.4(4) . . . . ?
C9 C7 N8 Pt1 -176.1(3) . . . . ?
C6 C7 N8 Pt1 3.4(4) . . . . ?
C21 Pt1 N8 C12 -13.8(15) . . . . ?
C1 Pt1 N8 C12 -176.7(4) . . . . ?
N15 Pt1 N8 C12 8.5(3) . . . . ?
C21 Pt1 N8 C7 161.1(13) . . . . ?
C1 Pt1 N8 C7 -1.8(3) . . . . ?
N15 Pt1 N8 C7 -176.6(3) . . . . ?
N8 C7 C9 C10 0.7(7) . . . . ?
C6 C7 C9 C10 -178.6(5) . . . . ?
C7 C9 C10 C11 -0.4(8) . . . . ?
C9 C10 C11 C12 0.3(8) . . . . ?
C7 N8 C12 N13 -179.3(4) . . . . ?
Pt1 N8 C12 N13 -4.7(6) . . . . ?
C7 N8 C12 C11 0.9(6) . . . . ?
Pt1 N8 C12 C11 175.5(3) . . . . ?
C10 C11 C12 N8 -0.6(7) . . . . ?
C10 C11 C12 N13 179.6(4) . . . . ?
N8 C12 N13 C14 -6.8(7) . . . . ?
C11 C12 N13 C14 173.0(4) . . . . ?
N8 C12 N13 C31 177.5(4) . . . . ?
C11 C12 N13 C31 -2.7(6) . . . . ?
C12 N13 C14 N15 10.9(7) . . . . ?
C31 N13 C14 N15 -173.4(4) . . . . ?
C12 N13 C14 C16 -171.0(4) . . . . ?
C31 N13 C14 C16 4.7(5) . . . . ?
C16 C14 N15 C19 2.4(6) . . . . ?
N13 C14 N15 C19 -179.6(4) . . . . ?
C16 C14 N15 Pt1 179.3(3) . . . . ?
N13 C14 N15 Pt1 -2.6(5) . . . . ?
C21 Pt1 N15 C14 173.0(3) . . . . ?
C1 Pt1 N15 C14 -51.9(12) . . . . ?
N8 Pt1 N15 C14 -4.9(3) . . . . ?
C21 Pt1 N15 C19 -9.9(3) . . . . ?
C1 Pt1 N15 C19 125.2(11) . . . . ?
N8 Pt1 N15 C19 172.2(3) . . . . ?
N15 C14 C16 C17 -1.5(6) . . . . ?
N13 C14 C16 C17 -179.6(4) . . . . ?
C14 C16 C17 C18 -0.9(6) . . . . ?
C16 C17 C18 C19 2.2(7) . . . . ?
C17 C18 C19 N15 -1.4(6) . . . . ?
C17 C18 C19 C20 173.5(4) . . . . ?
C14 N15 C19 C18 -1.0(6) . . . . ?
Pt1 N15 C19 C18 -178.2(3) . . . . ?
C14 N15 C19 C20 -176.5(3) . . . . ?
Pt1 N15 C19 C20 6.3(4) . . . . ?
C18 C19 C20 C25 -0.2(7) . . . . ?
N15 C19 C20 C25 175.1(4) . . . . ?
C18 C19 C20 C21 -171.9(4) . . . . ?
N15 C19 C20 C21 3.3(5) . . . . ?
C25 C20 C21 C22 -5.4(6) . . . . ?
C19 C20 C21 C22 166.8(4) . . . . ?
C25 C20 C21 Pt1 176.4(3) . . . . ?
C19 C20 C21 Pt1 -11.4(5) . . . . ?
C1 Pt1 C21 C22 18.4(4) . . . . ?
N15 Pt1 C21 C22 -166.7(4) . . . . ?
N8 Pt1 C21 C22 -144.2(12) . . . . ?
C1 Pt1 C21 C20 -163.7(3) . . . . ?
N15 Pt1 C21 C20 11.2(3) . . . . ?
N8 Pt1 C21 C20 33.7(15) . . . . ?
C20 C21 C22 C23 4.3(6) . . . . ?
Pt1 C21 C22 C23 -178.0(3) . . . . ?
C21 C22 C23 F2 180.0(4) . . . . ?
C21 C22 C23 C24 0.0(7) . . . . ?
F2 C23 C24 C25 176.9(4) . . . . ?
C22 C23 C24 C25 -3.1(7) . . . . ?
C23 C24 C25 F4 -178.2(4) . . . . ?
C23 C24 C25 C20 1.8(7) . . . . ?
C21 C20 C25 F4 -177.5(4) . . . . ?
C19 C20 C25 F4 10.9(7) . . . . ?
C21 C20 C25 C24 2.5(7) . . . . ?
C19 C20 C25 C24 -169.1(4) . . . . ?
C12 N13 C31 C36 -89.9(5) . . . . ?
C14 N13 C31 C36 93.6(5) . . . . ?
C12 N13 C31 C32 87.9(5) . . . . ?
C14 N13 C31 C32 -88.6(5) . . . . ?
C36 C31 C32 C33 0.3(7) . . . . ?
N13 C31 C32 C33 -177.4(4) . . . . ?
C31 C32 C33 C34 0.5(7) . . . . ?
C32 C33 C34 O1 177.8(4) . . . . ?
C32 C33 C34 C35 -1.2(7) . . . . ?
O1 C34 C35 C36 -177.8(4) . . . . ?
C33 C34 C35 C36 1.1(6) . . . . ?
C32 C31 C36 C35 -0.4(6) . . . . ?
N13 C31 C36 C35 177.3(4) . . . . ?
C34 C35 C36 C31 -0.3(6) . . . . ?
C33 C34 O1 C37 178.8(4) . . . . ?
C35 C34 O1 C37 -2.2(6) . . . . ?
