#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:22:27 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263695 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559995.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_1559995
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           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 2/c 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                90.00
_cell_angle_beta                 117.704(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.8339(3)
_cell_length_b                   9.8626(2)
_cell_length_c                   22.7576(3)
_cell_measurement_reflns_used    9957
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      4.08
_cell_volume                     4537.52(13)
_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  0.063
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29814
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.13
_exptl_absorpt_coefficient_mu    6.249
_exptl_absorpt_correction_T_max  0.8347
_exptl_absorpt_correction_T_min  0.6688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.033
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.838
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         7879
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0434
_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)+(0.0000P)²+57.8953P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                6114
_reflns_number_total             7879
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0sc06126c2.cif
_cod_data_source_block           dan9174
_cod_depositor_comments
'Adding full bibliography for 1559992--1559996.cif.'
_cod_original_cell_volume        4537.52(12)
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               1559995
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.282961(15) 0.40610(3) 0.235178(16) 0.02039(9) Uani 1 1 d . . .
F1 F 0.4642(3) 0.2087(6) 0.1673(3) 0.0407(14) Uani 1 1 d . . .
F2 F 0.4916(3) 0.1521(6) 0.4358(3) 0.0452(15) Uani 1 1 d . . .
F3 F 0.2479(3) 0.2613(7) 0.0005(3) 0.0503(17) Uani 1 1 d . . .
F4 F 0.3890(3) 0.5025(8) 0.4893(3) 0.063(2) Uani 1 1 d . . .
C1 C 0.3186(4) 0.3235(8) 0.1787(4) 0.0222(19) Uani 1 1 d . . .
C2 C 0.3838(4) 0.2854(9) 0.1959(5) 0.028(2) Uani 1 1 d . . .
H2 H 0.4168 0.2870 0.2411 0.034 Uiso 1 1 calc R . .
C3 C 0.3998(5) 0.2459(9) 0.1474(5) 0.030(2) Uani 1 1 d . . .
C4 C 0.3549(5) 0.2334(10) 0.0823(5) 0.034(2) Uani 1 1 d . . .
H4 H 0.3670 0.1999 0.0503 0.041 Uiso 1 1 calc R . .
C5 C 0.2913(5) 0.2716(11) 0.0652(5) 0.035(2) Uani 1 1 d . . .
C6 C 0.2722(5) 0.3234(9) 0.1103(5) 0.029(2) Uani 1 1 d . . .
C7 C 0.2081(4) 0.3883(10) 0.0921(4) 0.028(2) Uani 1 1 d . . .
N8 N 0.2046(3) 0.4492(7) 0.1445(3) 0.0201(15) Uani 1 1 d . . .
C9 C 0.1555(4) 0.3964(10) 0.0293(4) 0.030(2) Uani 1 1 d . . .
H9 H 0.1572 0.3526 -0.0071 0.036 Uiso 1 1 calc R . .
C10 C 0.0999(5) 0.4694(10) 0.0199(5) 0.034(2) Uani 1 1 d . . .
H10 H 0.0631 0.4751 -0.0232 0.041 Uiso 1 1 calc R . .
C11 C 0.0975(5) 0.5334(9) 0.0721(5) 0.031(2) Uani 1 1 d . . .
H11 H 0.0598 0.5856 0.0653 0.037 Uiso 1 1 calc R . .
C12 C 0.1514(4) 0.5210(8) 0.1359(4) 0.0223(19) Uani 1 1 d . . .
N13 N 0.1477(3) 0.5863(8) 0.1888(3) 0.0270(16) Uani 1 1 d . . .
C14 C 0.1948(4) 0.6045(9) 0.2564(4) 0.0244(19) Uani 1 1 d . . .
N15 N 0.2481(4) 0.5261(7) 0.2853(4) 0.0239(16) Uani 1 1 d . . .
C16 C 0.1821(5) 0.7047(10) 0.2936(5) 0.038(2) Uani 1 1 d . . .
H16 H 0.1441 0.7611 0.2734 0.045 Uiso 1 1 calc R . .
C17 C 0.2250(5) 0.7179(11) 0.3581(5) 0.041(3) Uani 1 1 d . . .
H17 H 0.2169 0.7849 0.3834 0.049 Uiso 1 1 calc R . .
C18 C 0.2810(5) 0.6373(10) 0.3893(5) 0.034(2) Uani 1 1 d . . .
H18 H 0.3104 0.6476 0.4353 0.040 Uiso 1 1 calc R . .
C19 C 0.2926(4) 0.5416(9) 0.3517(4) 0.027(2) Uani 1 1 d . . .
C20 C 0.3477(4) 0.4462(9) 0.3757(4) 0.0227(19) Uani 1 1 d . . .
C21 C 0.3527(4) 0.3626(9) 0.3263(4) 0.0216(18) Uani 1 1 d . . .
C22 C 0.4018(4) 0.2628(10) 0.3491(5) 0.029(2) Uani 1 1 d . . .
H22 H 0.4054 0.2028 0.3182 0.035 Uiso 1 1 calc R . .
C23 C 0.4451(4) 0.2505(10) 0.4157(5) 0.033(2) Uani 1 1 d . . .
C24 C 0.4422(5) 0.3307(11) 0.4636(5) 0.040(3) Uani 1 1 d . . .
H24 H 0.4726 0.3212 0.5093 0.048 Uiso 1 1 calc R . .
C25 C 0.3920(5) 0.4266(12) 0.4411(4) 0.038(2) Uani 1 1 d . . .
C31 C 0.0843(4) 0.6518(8) 0.1720(4) 0.0220(18) Uani 1 1 d . . .
C32 C 0.0737(4) 0.7870(9) 0.1554(4) 0.026(2) Uani 1 1 d . . .
H32 H 0.1064 0.8376 0.1502 0.032 Uiso 1 1 calc R . .
C33 C 0.0160(4) 0.8499(10) 0.1463(4) 0.030(2) Uani 1 1 d . . .
H33 H 0.0101 0.9443 0.1371 0.036 Uiso 1 1 calc R . .
C34 C -0.0333(4) 0.7746(9) 0.1506(5) 0.028(2) Uani 1 1 d . . .
C35 C -0.0232(4) 0.6376(9) 0.1654(5) 0.030(2) Uani 1 1 d . . .
H35 H -0.0571 0.5858 0.1677 0.036 Uiso 1 1 calc R . .
C36 C 0.0350(4) 0.5752(9) 0.1769(4) 0.028(2) Uani 1 1 d . . .
H36 H 0.0418 0.4817 0.1880 0.033 Uiso 1 1 calc R . .
O1 O -0.0910(3) 0.8281(7) 0.1434(4) 0.0429(18) Uani 1 1 d . . .
C37 C -0.0943(5) 0.9710(10) 0.1525(6) 0.041(3) Uani 1 1 d . . .
H37A H -0.0565 0.9987 0.1943 0.062 Uiso 1 1 calc R . .
H37B H -0.1355 0.9925 0.1538 0.062 Uiso 1 1 calc R . .
H37C H -0.0930 1.0197 0.1156 0.062 Uiso 1 1 calc R . .
Pt1A Pt 0.203751(15) 0.10132(3) 0.242984(16) 0.02147(9) Uani 1 1 d . . .
F1A F 0.1755(3) 0.4356(6) 0.4175(3) 0.0469(15) Uani 1 1 d . . .
F2A F -0.0454(2) 0.2860(6) 0.1630(3) 0.0373(13) Uani 1 1 d . . .
F3A F 0.3442(3) 0.1134(7) 0.5021(3) 0.0563(18) Uani 1 1 d . . .
F4A F 0.0132(3) 0.1588(7) 0.0002(3) 0.0460(16) Uani 1 1 d . . .
C1A C 0.2188(4) 0.1802(10) 0.3297(4) 0.027(2) Uani 1 1 d . . .
C2A C 0.1875(4) 0.2862(9) 0.3432(5) 0.028(2) Uani 1 1 d . . .
H2A H 0.1512 0.3295 0.3075 0.034 Uiso 1 1 calc R . .
C3A C 0.2072(5) 0.3302(10) 0.4060(5) 0.035(2) Uani 1 1 d . . .
C4A C 0.2589(5) 0.2723(11) 0.4602(5) 0.041(3) Uani 1 1 d . . .
H4A H 0.2713 0.3032 0.5039 0.049 Uiso 1 1 calc R . .
C5A C 0.2920(5) 0.1685(11) 0.4486(5) 0.037(2) Uani 1 1 d . . .
C6A C 0.2750(4) 0.1232(9) 0.3849(4) 0.027(2) Uani 1 1 d . . .
C7A C 0.3138(4) 0.0218(9) 0.3684(5) 0.028(2) Uani 1 1 d . . .
N8A N 0.2912(3) 0.0066(7) 0.3015(4) 0.0260(16) Uani 1 1 d . . .
C9A C 0.3687(5) -0.0480(12) 0.4135(5) 0.045(3) Uani 1 1 d . . .
H9A H 0.3845 -0.0373 0.4599 0.054 Uiso 1 1 calc R . .
C10A C 0.3997(5) -0.1337(13) 0.3891(5) 0.051(3) Uani 1 1 d . . .
H10A H 0.4376 -0.1830 0.4193 0.061 Uiso 1 1 calc R . .
C11A C 0.3774(5) -0.1493(11) 0.3232(5) 0.039(3) Uani 1 1 d . . .
H11A H 0.3990 -0.2106 0.3074 0.047 Uiso 1 1 calc R . .
C12A C 0.3229(4) -0.0757(9) 0.2783(4) 0.027(2) Uani 1 1 d . . .
N13A N 0.3035(3) -0.0885(8) 0.2095(4) 0.0289(17) Uani 1 1 d . . .
C14A C 0.2476(4) -0.0410(9) 0.1531(5) 0.027(2) Uani 1 1 d . . .
N15A N 0.1992(3) 0.0296(7) 0.1569(3) 0.0239(16) Uani 1 1 d . . .
C16A C 0.2435(5) -0.0637(11) 0.0905(5) 0.041(3) Uani 1 1 d . . .
H16A H 0.2786 -0.1097 0.0874 0.049 Uiso 1 1 calc R . .
C17A C 0.1909(5) -0.0217(13) 0.0348(5) 0.048(3) Uani 1 1 d . . .
H17A H 0.1886 -0.0402 -0.0072 0.058 Uiso 1 1 calc R . .
C18A C 0.1398(5) 0.0486(11) 0.0380(5) 0.038(2) Uani 1 1 d . . .
H18A H 0.1027 0.0792 -0.0012 0.046 Uiso 1 1 calc R . .
C19A C 0.1442(4) 0.0729(10) 0.0996(4) 0.029(2) Uani 1 1 d . . .
C20A C 0.0949(4) 0.1413(8) 0.1134(4) 0.0219(19) Uani 1 1 d . . .
C21A C 0.1122(4) 0.1646(9) 0.1817(4) 0.0245(19) Uani 1 1 d . . .
C22A C 0.0625(4) 0.2104(8) 0.1964(4) 0.0242(19) Uani 1 1 d . . .
H22A H 0.0717 0.2219 0.2413 0.029 Uiso 1 1 calc R . .
C23A C 0.0013(4) 0.2386(9) 0.1467(5) 0.029(2) Uani 1 1 d . . .
C24A C -0.0166(4) 0.2253(10) 0.0807(4) 0.031(2) Uani 1 1 d . . .
H24A H -0.0593 0.2500 0.0470 0.037 Uiso 1 1 calc R . .
C25A C 0.0312(4) 0.1737(9) 0.0663(4) 0.028(2) Uani 1 1 d . . .
C31A C 0.3514(4) -0.1568(9) 0.1947(5) 0.027(2) Uani 1 1 d . . .
C32A C 0.3486(5) -0.2943(9) 0.1825(5) 0.037(2) Uani 1 1 d . . .
H32A H 0.3160 -0.3487 0.1859 0.045 Uiso 1 1 calc R . .
C33A C 0.3933(5) -0.3521(10) 0.1655(5) 0.037(2) Uani 1 1 d . . .
H33A H 0.3921 -0.4470 0.1580 0.045 Uiso 1 1 calc R . .
C34A C 0.4401(5) -0.2722(9) 0.1593(5) 0.031(2) Uani 1 1 d . . .
C35A C 0.4427(5) -0.1353(10) 0.1709(5) 0.031(2) Uani 1 1 d . . .
H35A H 0.4746 -0.0806 0.1663 0.037 Uiso 1 1 calc R . .
C36A C 0.3982(4) -0.0774(9) 0.1894(5) 0.031(2) Uani 1 1 d . . .
H36A H 0.4002 0.0170 0.1984 0.037 Uiso 1 1 calc R . .
O1A O 0.4866(3) -0.3218(6) 0.1426(3) 0.0351(16) Uani 1 1 d . . .
C37A C 0.4969(4) -0.4655(9) 0.1456(5) 0.031(2) Uani 1 1 d . . .
H37D H 0.5091 -0.4981 0.1905 0.046 Uiso 1 1 calc R . .
H37E H 0.5326 -0.4864 0.1345 0.046 Uiso 1 1 calc R . .
H37F H 0.4562 -0.5105 0.1138 0.046 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
C1 Pt1 C21 102.5(3) . . ?
C1 Pt1 N15 168.8(3) . . ?
C21 Pt1 N15 82.8(3) . . ?
C1 Pt1 N8 82.1(3) . . ?
C21 Pt1 N8 174.6(3) . . ?
N15 Pt1 N8 93.3(3) . . ?
C2 C1 C6 117.4(7) . . ?
C2 C1 Pt1 129.0(7) . . ?
C6 C1 Pt1 112.9(6) . . ?
C3 C2 C1 119.8(9) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C4 C3 C2 123.8(9) . . ?
C4 C3 F1 119.0(8) . . ?
C2 C3 F1 117.1(9) . . ?
C3 C4 C5 116.6(8) . . ?
C3 C4 H4 121.7 . . ?
C5 C4 H4 121.7 . . ?
F3 C5 C4 115.8(8) . . ?
F3 C5 C6 121.0(8) . . ?
C4 C5 C6 123.2(9) . . ?
C5 C6 C1 118.8(8) . . ?
C5 C6 C7 124.5(9) . . ?
C1 C6 C7 116.5(7) . . ?
N8 C7 C9 120.1(8) . . ?
N8 C7 C6 113.6(7) . . ?
C9 C7 C6 126.3(8) . . ?
C12 N8 C7 121.5(7) . . ?
C12 N8 Pt1 124.3(5) . . ?
C7 N8 Pt1 114.0(5) . . ?
C7 C9 C10 119.0(8) . . ?
C7 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C11 C10 C9 120.6(9) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 119.1(8) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
N8 C12 N13 122.0(7) . . ?
N8 C12 C11 119.7(8) . . ?
N13 C12 C11 118.2(8) . . ?
C12 N13 C14 132.2(7) . . ?
C12 N13 C31 115.2(7) . . ?
C14 N13 C31 112.6(6) . . ?
N15 C14 C16 120.3(8) . . ?
N15 C14 N13 121.3(7) . . ?
C16 C14 N13 118.3(8) . . ?
C14 N15 C19 121.0(7) . . ?
C14 N15 Pt1 124.4(6) . . ?
C19 N15 Pt1 113.3(6) . . ?
C17 C16 C14 118.2(9) . . ?
C17 C16 H16 120.9 . . ?
C14 C16 H16 120.9 . . ?
C16 C17 C18 122.5(9) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C19 C18 C17 118.1(9) . . ?
C19 C18 H18 120.9 . . ?
C17 C18 H18 120.9 . . ?
C18 C19 N15 119.8(8) . . ?
C18 C19 C20 126.2(9) . . ?
N15 C19 C20 113.9(7) . . ?
C25 C20 C21 118.7(8) . . ?
C25 C20 C19 124.7(8) . . ?
C21 C20 C19 116.5(7) . . ?
C22 C21 C20 117.1(8) . . ?
C22 C21 Pt1 130.8(7) . . ?
C20 C21 Pt1 112.0(6) . . ?
C23 C22 C21 120.7(9) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
F2 C23 C24 117.7(8) . . ?
F2 C23 C22 119.0(9) . . ?
C24 C23 C22 123.3(9) . . ?
C23 C24 C25 115.8(9) . . ?
C23 C24 H24 122.1 . . ?
C25 C24 H24 122.1 . . ?
F4 C25 C20 120.9(9) . . ?
F4 C25 C24 114.8(8) . . ?
C20 C25 C24 124.3(9) . . ?
C32 C31 C36 119.9(8) . . ?
C32 C31 N13 121.7(7) . . ?
C36 C31 N13 118.3(7) . . ?
C31 C32 C33 120.6(8) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C34 119.8(9) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
O1 C34 C35 116.8(8) . . ?
O1 C34 C33 123.9(8) . . ?
C35 C34 C33 119.3(8) . . ?
C36 C35 C34 121.3(8) . . ?
C36 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
C35 C36 C31 119.0(8) . . ?
C35 C36 H36 120.5 . . ?
C31 C36 H36 120.5 . . ?
C34 O1 C37 118.6(7) . . ?
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 . . ?
C1A Pt1A C21A 102.2(4) . . ?
C1A Pt1A N8A 82.3(3) . . ?
C21A Pt1A N8A 170.9(3) . . ?
C1A Pt1A N15A 173.2(3) . . ?
C21A Pt1A N15A 82.5(3) . . ?
N8A Pt1A N15A 93.8(3) . . ?
C2A C1A C6A 116.7(8) . . ?
C2A C1A Pt1A 130.3(7) . . ?
C6A C1A Pt1A 112.8(6) . . ?
C3A C2A C1A 121.7(9) . . ?
C3A C2A H2A 119.1 . . ?
C1A C2A H2A 119.1 . . ?
C2A C3A F1A 120.2(9) . . ?
C2A C3A C4A 122.6(9) . . ?
F1A C3A C4A 117.2(8) . . ?
C5A C4A C3A 117.4(9) . . ?
C5A C4A H4A 121.3 . . ?
C3A C4A H4A 121.3 . . ?
F3A C5A C4A 117.3(9) . . ?
F3A C5A C6A 120.6(9) . . ?
C4A C5A C6A 122.0(9) . . ?
C5A C6A C1A 119.5(8) . . ?
C5A C6A C7A 124.5(8) . . ?
C1A C6A C7A 115.9(8) . . ?
N8A C7A C9A 121.1(9) . . ?
N8A C7A C6A 113.0(8) . . ?
C9A C7A C6A 125.9(9) . . ?
C12A N8A C7A 120.5(8) . . ?
C12A N8A Pt1A 124.1(6) . . ?
C7A N8A Pt1A 115.1(6) . . ?
C10A C9A C7A 117.8(10) . . ?
C10A C9A H9A 121.1 . . ?
C7A C9A H9A 121.1 . . ?
C11A C10A C9A 121.3(10) . . ?
C11A C10A H10A 119.3 . . ?
C9A C10A H10A 119.3 . . ?
C10A C11A C12A 120.2(9) . . ?
C10A C11A H11A 119.9 . . ?
C12A C11A H11A 119.9 . . ?
N8A C12A C11A 119.1(8) . . ?
N8A C12A N13A 122.4(8) . . ?
C11A C12A N13A 118.5(8) . . ?
C14A N13A C12A 131.5(7) . . ?
C14A N13A C31A 113.9(7) . . ?
C12A N13A C31A 114.5(7) . . ?
N15A C14A C16A 118.7(8) . . ?
N15A C14A N13A 122.7(7) . . ?
C16A C14A N13A 118.6(8) . . ?
C14A N15A C19A 120.7(7) . . ?
C14A N15A Pt1A 124.4(6) . . ?
C19A N15A Pt1A 114.4(5) . . ?
C17A C16A C14A 121.1(9) . . ?
C17A C16A H16A 119.4 . . ?
C14A C16A H16A 119.4 . . ?
C16A C17A C18A 120.5(9) . . ?
C16A C17A H17A 119.7 . . ?
C18A C17A H17A 119.7 . . ?
C19A C18A C17A 118.4(9) . . ?
C19A C18A H18A 120.8 . . ?
C17A C18A H18A 120.8 . . ?
C18A C19A N15A 120.3(8) . . ?
C18A C19A C20A 126.7(8) . . ?
N15A C19A C20A 112.9(7) . . ?
C25A C20A C21A 117.6(7) . . ?
C25A C20A C19A 125.1(8) . . ?
C21A C20A C19A 117.1(8) . . ?
C22A C21A C20A 117.8(8) . . ?
C22A C21A Pt1A 129.5(7) . . ?
C20A C21A Pt1A 112.2(6) . . ?
C23A C22A C21A 120.2(8) . . ?
C23A C22A H22A 119.9 . . ?
C21A C22A H22A 119.9 . . ?
C22A C23A F2A 118.5(8) . . ?
C22A C23A C24A 124.2(8) . . ?
F2A C23A C24A 117.3(8) . . ?
C23A C24A C25A 115.6(8) . . ?
C23A C24A H24A 122.2 . . ?
C25A C24A H24A 122.2 . . ?
F4A C25A C24A 115.7(8) . . ?
F4A C25A C20A 119.8(7) . . ?
C24A C25A C20A 124.4(8) . . ?
C36A C31A C32A 120.5(8) . . ?
C36A C31A N13A 117.2(8) . . ?
C32A C31A N13A 122.3(8) . . ?
C33A C32A C31A 119.7(9) . . ?
C33A C32A H32A 120.2 . . ?
C31A C32A H32A 120.2 . . ?
C32A C33A C34A 120.1(9) . . ?
C32A C33A H33A 119.9 . . ?
C34A C33A H33A 119.9 . . ?
C35A C34A O1A 115.8(8) . . ?
C35A C34A C33A 120.3(9) . . ?
O1A C34A C33A 123.9(8) . . ?
C34A C35A C36A 119.4(8) . . ?
C34A C35A H35A 120.3 . . ?
C36A C35A H35A 120.3 . . ?
C31A C36A C35A 120.0(9) . . ?
C31A C36A H36A 120.0 . . ?
C35A C36A H36A 120.0 . . ?
C34A O1A C37A 118.1(7) . . ?
O1A C37A H37D 109.5 . . ?
O1A C37A H37E 109.5 . . ?
H37D C37A H37E 109.5 . . ?
O1A C37A H37F 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 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 C1 1.986(8) . ?
Pt1 C21 1.988(8) . ?
Pt1 N15 2.044(6) . ?
Pt1 N8 2.052(7) . ?
F1 C3 1.373(10) . ?
F2 C23 1.351(10) . ?
F3 C5 1.342(10) . ?
F4 C25 1.355(11) . ?
C1 C2 1.405(12) . ?
C1 C6 1.419(12) . ?
C2 C3 1.370(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.360(13) . ?
C4 C5 1.370(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(12) . ?
C6 C7 1.468(12) . ?
C7 N8 1.370(10) . ?
C7 C9 1.378(12) . ?
N8 C12 1.338(10) . ?
C9 C10 1.386(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.370(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.406(12) . ?
C11 H11 0.9500 . ?
C12 N13 1.401(10) . ?
N13 C14 1.420(11) . ?
N13 C31 1.465(10) . ?
C14 N15 1.330(11) . ?
C14 C16 1.417(12) . ?
N15 C19 1.383(11) . ?
C16 C17 1.339(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(13) . ?
C17 H17 0.9500 . ?
C18 C19 1.380(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.458(12) . ?
C20 C25 1.369(12) . ?
C20 C21 1.440(11) . ?
C21 C22 1.397(12) . ?
C22 C23 1.378(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.373(14) . ?
C24 C25 1.388(13) . ?
C24 H24 0.9500 . ?
C31 C32 1.375(12) . ?
C31 C36 1.402(11) . ?
C32 C33 1.382(12) . ?
C32 H32 0.9500 . ?
C33 C34 1.389(12) . ?
C33 H33 0.9500 . ?
C34 O1 1.356(10) . ?
C34 C35 1.386(12) . ?
C35 C36 1.375(12) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
O1 C37 1.432(11) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
Pt1A C1A 1.996(8) . ?
Pt1A C21A 1.999(9) . ?
Pt1A N8A 2.040(7) . ?
Pt1A N15A 2.040(7) . ?
F1A C3A 1.359(11) . ?
F2A C23A 1.364(9) . ?
F3A C5A 1.360(11) . ?
F4A C25A 1.371(10) . ?
C1A C2A 1.380(12) . ?
C1A C6A 1.429(12) . ?
C2A C3A 1.355(13) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.374(14) . ?
C4A C5A 1.369(14) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.388(13) . ?
C6A C7A 1.495(12) . ?
C7A N8A 1.369(11) . ?
C7A C9A 1.379(13) . ?
N8A C12A 1.348(11) . ?
C9A C10A 1.375(14) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.351(14) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.392(12) . ?
C11A H11A 0.9500 . ?
C12A N13A 1.420(11) . ?
N13A C14A 1.405(11) . ?
N13A C31A 1.452(10) . ?
C14A N15A 1.342(10) . ?
C14A C16A 1.402(12) . ?
N15A C19A 1.392(11) . ?
C16A C17A 1.345(14) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.388(13) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.380(12) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.465(12) . ?
C20A C25A 1.384(12) . ?
C20A C21A 1.433(12) . ?
C21A C22A 1.397(11) . ?
C22A C23A 1.356(12) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.367(12) . ?
C24A C25A 1.376(12) . ?
C24A H24A 0.9500 . ?
C31A C36A 1.376(12) . ?
C31A C32A 1.380(12) . ?
C32A C33A 1.371(12) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.388(12) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.372(13) . ?
C34A O1A 1.372(10) . ?
C35A C36A 1.390(12) . ?
C35A H35A 0.9500 . ?
C36A H36A 0.9500 . ?
O1A C37A 1.433(10) . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 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 -19.2(8) . . . . ?
N15 Pt1 C1 C2 97.5(18) . . . . ?
N8 Pt1 C1 C2 163.8(8) . . . . ?
C21 Pt1 C1 C6 170.9(6) . . . . ?
N15 Pt1 C1 C6 -72.4(19) . . . . ?
N8 Pt1 C1 C6 -6.1(6) . . . . ?
C6 C1 C2 C3 -2.1(12) . . . . ?
Pt1 C1 C2 C3 -171.6(6) . . . . ?
C1 C2 C3 C4 -3.9(14) . . . . ?
C1 C2 C3 F1 -179.5(7) . . . . ?
C2 C3 C4 C5 4.3(14) . . . . ?
F1 C3 C4 C5 179.8(8) . . . . ?
C3 C4 C5 F3 178.7(8) . . . . ?
C3 C4 C5 C6 1.3(15) . . . . ?
F3 C5 C6 C1 175.7(8) . . . . ?
C4 C5 C6 C1 -7.1(15) . . . . ?
F3 C5 C6 C7 -9.1(15) . . . . ?
C4 C5 C6 C7 168.2(9) . . . . ?
C2 C1 C6 C5 7.3(12) . . . . ?
Pt1 C1 C6 C5 178.4(7) . . . . ?
C2 C1 C6 C7 -168.4(8) . . . . ?
Pt1 C1 C6 C7 2.8(10) . . . . ?
C5 C6 C7 N8 -170.7(9) . . . . ?
C1 C6 C7 N8 4.6(11) . . . . ?
C5 C6 C7 C9 6.6(15) . . . . ?
C1 C6 C7 C9 -178.0(9) . . . . ?
C9 C7 N8 C12 -2.1(13) . . . . ?
C6 C7 N8 C12 175.4(7) . . . . ?
C9 C7 N8 Pt1 172.9(7) . . . . ?
C6 C7 N8 Pt1 -9.6(9) . . . . ?
C1 Pt1 N8 C12 -176.3(7) . . . . ?
C21 Pt1 N8 C12 36(4) . . . . ?
N15 Pt1 N8 C12 -6.6(7) . . . . ?
C1 Pt1 N8 C7 8.9(6) . . . . ?
C21 Pt1 N8 C7 -138(3) . . . . ?
N15 Pt1 N8 C7 178.6(6) . . . . ?
N8 C7 C9 C10 1.5(14) . . . . ?
C6 C7 C9 C10 -175.7(9) . . . . ?
C7 C9 C10 C11 0.5(14) . . . . ?
C9 C10 C11 C12 -1.8(14) . . . . ?
C7 N8 C12 N13 -178.6(8) . . . . ?
Pt1 N8 C12 N13 6.9(11) . . . . ?
C7 N8 C12 C11 0.8(12) . . . . ?
Pt1 N8 C12 C11 -173.7(6) . . . . ?
C10 C11 C12 N8 1.2(13) . . . . ?
C10 C11 C12 N13 -179.4(8) . . . . ?
N8 C12 N13 C14 6.2(14) . . . . ?
C11 C12 N13 C14 -173.2(9) . . . . ?
N8 C12 N13 C31 -175.6(7) . . . . ?
C11 C12 N13 C31 5.1(11) . . . . ?
C12 N13 C14 N15 -19.1(14) . . . . ?
C31 N13 C14 N15 162.6(7) . . . . ?
C12 N13 C14 C16 163.7(9) . . . . ?
C31 N13 C14 C16 -14.6(11) . . . . ?
C16 C14 N15 C19 -0.8(12) . . . . ?
N13 C14 N15 C19 -177.9(7) . . . . ?
C16 C14 N15 Pt1 -166.8(7) . . . . ?
N13 C14 N15 Pt1 16.2(11) . . . . ?
C1 Pt1 N15 C14 60.2(19) . . . . ?
C21 Pt1 N15 C14 178.7(7) . . . . ?
N8 Pt1 N15 C14 -5.0(7) . . . . ?
C1 Pt1 N15 C19 -106.6(17) . . . . ?
C21 Pt1 N15 C19 11.9(6) . . . . ?
N8 Pt1 N15 C19 -171.9(6) . . . . ?
N15 C14 C16 C17 0.1(14) . . . . ?
N13 C14 C16 C17 177.2(9) . . . . ?
C14 C16 C17 C18 -0.1(16) . . . . ?
C16 C17 C18 C19 0.9(16) . . . . ?
C17 C18 C19 N15 -1.7(13) . . . . ?
C17 C18 C19 C20 -178.8(9) . . . . ?
C14 N15 C19 C18 1.7(12) . . . . ?
Pt1 N15 C19 C18 169.0(7) . . . . ?
C14 N15 C19 C20 179.1(7) . . . . ?
Pt1 N15 C19 C20 -13.5(9) . . . . ?
C18 C19 C20 C25 8.3(15) . . . . ?
N15 C19 C20 C25 -169.0(9) . . . . ?
C18 C19 C20 C21 -175.2(8) . . . . ?
N15 C19 C20 C21 7.5(11) . . . . ?
C25 C20 C21 C22 2.0(12) . . . . ?
C19 C20 C21 C22 -174.7(7) . . . . ?
C25 C20 C21 Pt1 179.1(7) . . . . ?
C19 C20 C21 Pt1 2.4(9) . . . . ?
C1 Pt1 C21 C22 -21.0(8) . . . . ?
N15 Pt1 C21 C22 169.1(8) . . . . ?
N8 Pt1 C21 C22 126(3) . . . . ?
C1 Pt1 C21 C20 162.4(6) . . . . ?
N15 Pt1 C21 C20 -7.4(6) . . . . ?
N8 Pt1 C21 C20 -51(4) . . . . ?
C20 C21 C22 C23 -2.9(12) . . . . ?
Pt1 C21 C22 C23 -179.3(7) . . . . ?
C21 C22 C23 F2 179.5(7) . . . . ?
C21 C22 C23 C24 1.7(14) . . . . ?
F2 C23 C24 C25 -177.4(8) . . . . ?
C22 C23 C24 C25 0.5(15) . . . . ?
C21 C20 C25 F4 -179.7(9) . . . . ?
C19 C20 C25 F4 -3.3(15) . . . . ?
C21 C20 C25 C24 0.1(15) . . . . ?
C19 C20 C25 C24 176.5(9) . . . . ?
C23 C24 C25 F4 178.5(9) . . . . ?
C23 C24 C25 C20 -1.4(16) . . . . ?
C12 N13 C31 C32 -94.4(10) . . . . ?
C14 N13 C31 C32 84.2(10) . . . . ?
C12 N13 C31 C36 89.3(10) . . . . ?
C14 N13 C31 C36 -92.1(9) . . . . ?
C36 C31 C32 C33 2.8(13) . . . . ?
N13 C31 C32 C33 -173.4(8) . . . . ?
C31 C32 C33 C34 -3.2(13) . . . . ?
C32 C33 C34 O1 178.9(8) . . . . ?
C32 C33 C34 C35 1.4(14) . . . . ?
O1 C34 C35 C36 -176.8(8) . . . . ?
C33 C34 C35 C36 1.0(14) . . . . ?
C34 C35 C36 C31 -1.4(14) . . . . ?
C32 C31 C36 C35 -0.4(13) . . . . ?
N13 C31 C36 C35 175.9(8) . . . . ?
C35 C34 O1 C37 157.3(9) . . . . ?
C33 C34 O1 C37 -20.4(14) . . . . ?
C21A Pt1A C1A C2A -20.1(9) . . . . ?
N8A Pt1A C1A C2A 167.9(8) . . . . ?
N15A Pt1A C1A C2A 112(3) . . . . ?
C21A Pt1A C1A C6A 166.2(6) . . . . ?
N8A Pt1A C1A C6A -5.9(6) . . . . ?
N15A Pt1A C1A C6A -61(3) . . . . ?
C6A C1A C2A C3A -2.9(13) . . . . ?
Pt1A C1A C2A C3A -176.4(7) . . . . ?
C1A C2A C3A F1A 179.5(8) . . . . ?
C1A C2A C3A C4A -0.4(14) . . . . ?
C2A C3A C4A C5A 1.6(14) . . . . ?
F1A C3A C4A C5A -178.3(8) . . . . ?
C3A C4A C5A F3A 178.5(8) . . . . ?
C3A C4A C5A C6A 0.7(14) . . . . ?
F3A C5A C6A C1A 178.2(8) . . . . ?
C4A C5A C6A C1A -4.0(14) . . . . ?
F3A C5A C6A C7A -5.2(14) . . . . ?
C4A C5A C6A C7A 172.6(8) . . . . ?
C2A C1A C6A C5A 5.0(12) . . . . ?
Pt1A C1A C6A C5A 179.6(7) . . . . ?
C2A C1A C6A C7A -171.9(7) . . . . ?
Pt1A C1A C6A C7A 2.8(10) . . . . ?
C5A C6A C7A N8A -172.5(8) . . . . ?
C1A C6A C7A N8A 4.2(11) . . . . ?
C5A C6A C7A C9A 4.9(14) . . . . ?
C1A C6A C7A C9A -178.4(9) . . . . ?
C9A C7A N8A C12A -1.1(13) . . . . ?
C6A C7A N8A C12A 176.4(7) . . . . ?
C9A C7A N8A Pt1A 173.4(7) . . . . ?
C6A C7A N8A Pt1A -9.1(9) . . . . ?
C1A Pt1A N8A C12A -177.2(7) . . . . ?
C21A Pt1A N8A C12A 62(2) . . . . ?
N15A Pt1A N8A C12A -2.8(7) . . . . ?
C1A Pt1A N8A C7A 8.6(6) . . . . ?
C21A Pt1A N8A C7A -112.0(19) . . . . ?
N15A Pt1A N8A C7A -177.0(6) . . . . ?
N8A C7A C9A C10A -0.3(15) . . . . ?
C6A C7A C9A C10A -177.5(9) . . . . ?
C7A C9A C10A C11A 0.1(17) . . . . ?
C9A C10A C11A C12A 1.4(18) . . . . ?
C7A N8A C12A C11A 2.6(12) . . . . ?
Pt1A N8A C12A C11A -171.3(7) . . . . ?
C7A N8A C12A N13A -176.3(8) . . . . ?
Pt1A N8A C12A N13A 9.8(11) . . . . ?
C10A C11A C12A N8A -2.8(15) . . . . ?
C10A C11A C12A N13A 176.1(10) . . . . ?
N8A C12A N13A C14A -9.5(14) . . . . ?
C11A C12A N13A C14A 171.6(9) . . . . ?
N8A C12A N13A C31A 166.9(8) . . . . ?
C11A C12A N13A C31A -12.0(12) . . . . ?
C12A N13A C14A N15A -0.8(15) . . . . ?
C31A N13A C14A N15A -177.2(8) . . . . ?
C12A N13A C14A C16A 176.6(9) . . . . ?
C31A N13A C14A C16A 0.2(12) . . . . ?
C16A C14A N15A C19A 3.6(13) . . . . ?
N13A C14A N15A C19A -179.0(8) . . . . ?
C16A C14A N15A Pt1A -168.8(7) . . . . ?
N13A C14A N15A Pt1A 8.6(12) . . . . ?
C1A Pt1A N15A C14A 49(3) . . . . ?
C21A Pt1A N15A C14A -178.0(7) . . . . ?
N8A Pt1A N15A C14A -6.3(7) . . . . ?
C1A Pt1A N15A C19A -124(3) . . . . ?
C21A Pt1A N15A C19A 9.2(6) . . . . ?
N8A Pt1A N15A C19A -179.1(6) . . . . ?
N15A C14A C16A C17A -3.1(16) . . . . ?
N13A C14A C16A C17A 179.4(10) . . . . ?
C14A C16A C17A C18A 1.6(18) . . . . ?
C16A C17A C18A C19A -0.6(17) . . . . ?
C17A C18A C19A N15A 1.0(15) . . . . ?
C17A C18A C19A C20A -178.1(9) . . . . ?
C14A N15A C19A C18A -2.6(13) . . . . ?
Pt1A N15A C19A C18A 170.5(7) . . . . ?
C14A N15A C19A C20A 176.6(7) . . . . ?
Pt1A N15A C19A C20A -10.3(9) . . . . ?
C18A C19A C20A C25A 10.8(15) . . . . ?
N15A C19A C20A C25A -168.4(8) . . . . ?
C18A C19A C20A C21A -175.4(9) . . . . ?
N15A C19A C20A C21A 5.4(11) . . . . ?
C25A C20A C21A C22A 3.9(12) . . . . ?
C19A C20A C21A C22A -170.4(7) . . . . ?
C25A C20A C21A Pt1A 176.4(6) . . . . ?
C19A C20A C21A Pt1A 2.1(9) . . . . ?
C1A Pt1A C21A C22A -19.6(8) . . . . ?
N8A Pt1A C21A C22A 100(2) . . . . ?
N15A Pt1A C21A C22A 165.5(8) . . . . ?
C1A Pt1A C21A C20A 169.1(6) . . . . ?
N8A Pt1A C21A C20A -72(2) . . . . ?
N15A Pt1A C21A C20A -5.9(6) . . . . ?
C20A C21A C22A C23A -3.6(12) . . . . ?
Pt1A C21A C22A C23A -174.6(7) . . . . ?
C21A C22A C23A F2A -178.6(7) . . . . ?
C21A C22A C23A C24A 0.1(14) . . . . ?
C22A C23A C24A C25A 3.1(14) . . . . ?
F2A C23A C24A C25A -178.3(8) . . . . ?
C23A C24A C25A F4A 179.3(8) . . . . ?
C23A C24A C25A C20A -2.7(14) . . . . ?
C21A C20A C25A F4A 177.2(8) . . . . ?
C19A C20A C25A F4A -9.0(13) . . . . ?
C21A C20A C25A C24A -0.7(13) . . . . ?
C19A C20A C25A C24A 173.0(9) . . . . ?
C14A N13A C31A C36A 87.1(10) . . . . ?
C12A N13A C31A C36A -90.0(10) . . . . ?
C14A N13A C31A C32A -89.4(11) . . . . ?
C12A N13A C31A C32A 93.6(11) . . . . ?
C36A C31A C32A C33A 0.5(16) . . . . ?
N13A C31A C32A C33A 176.8(9) . . . . ?
C31A C32A C33A C34A -1.3(16) . . . . ?
C32A C33A C34A C35A 0.9(16) . . . . ?
C32A C33A C34A O1A 179.8(9) . . . . ?
O1A C34A C35A C36A -178.6(8) . . . . ?
C33A C34A C35A C36A 0.4(15) . . . . ?
C32A C31A C36A C35A 0.8(15) . . . . ?
N13A C31A C36A C35A -175.7(8) . . . . ?
C34A C35A C36A C31A -1.2(14) . . . . ?
C35A C34A O1A C37A 165.2(9) . . . . ?
C33A C34A O1A C37A -13.8(14) . . . . ?
