# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cu_ie004_0m
_database_code_depnum_ccdc_archive 'CCDC 1025103'
_audit_update_record             
;
2014-11-06 deposited with the CCDC.
2014-12-02 downloaded from the CCDC.
;
_audit_creation_date             2014-11-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_formula_moiety         'C23 H15 F N4, C H Cl3'
_chemical_formula_sum            'C24 H16 Cl3 F N4'
_chemical_formula_weight         485.78
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.07536 0.05506 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.36842 0.69938 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   9.0898(3)
_cell_length_b                   10.2902(3)
_cell_length_c                   13.0414(4)
_cell_angle_alpha                80.2999(11)
_cell_angle_beta                 89.0859(11)
_cell_angle_gamma                64.1607(10)
_cell_volume                     1079.91(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9918
_cell_measurement_theta_max      73.82
_cell_measurement_theta_min      3.45
_exptl_absorpt_coefficient_mu    4.089
_exptl_absorpt_correction_T_max  0.6803
_exptl_absorpt_correction_T_min  0.5627
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.4938
_exptl_crystal_description       block
_exptl_crystal_F_000             499.4861
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15092
_diffrn_reflns_theta_full        73.8166
_diffrn_reflns_theta_max         73.82
_diffrn_reflns_theta_min         3.45
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.9705
_diffrn_measured_fraction_theta_max 0.9705
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              12
_reflns_limit_k_min              -12
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                3828
_reflns_number_total             4246
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2013)'
_refine_diff_density_max         0.9583
_refine_diff_density_min         -0.8145
_refine_diff_density_rms         0.0946
_refine_ls_d_res_high            0.8027
_refine_ls_d_res_low             12.8279
_refine_ls_goodness_of_fit_ref   1.0513
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    32
_refine_ls_number_parameters     288
_refine_ls_number_reflns         4246
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0537
_refine_ls_restrained_S_all      1.0513
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1057P)²+0.5650P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1578
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Ternary CH refined with riding coordinates:
 C1S(H1S)
2.b Aromatic/amide H refined with riding coordinates:
 N2(H2), C2(H2a), C3(H3), C5(H5), C6(H6), C11(H11), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17), C20(H20), C21(H21), C22(H22), C23(H23)
;
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_refinement_flags_posn
F1 F 1.3292(2) 0.71821(18) 0.37111(14) 0.0479(4) Uani 1.000000 .
N1 N 2.5476(2) -0.24286(18) 0.00016(14) 0.0240(4) Uani 1.000000 .
N2 N 1.8219(2) 0.45530(18) 0.00089(13) 0.0188(3) Uani 1.000000 .
H2 H 1.7376(2) 0.54033(18) 0.00256(13) 0.0226(4) Uiso 1.000000 R
N3 N 2.0308(2) 0.27848(18) -0.06305(13) 0.0203(4) Uani 1.000000 .
N4 N 1.7795(3) 0.6577(2) -0.39309(15) 0.0343(5) Uani 1.000000 .
C1S C 0.7659(3) 0.9153(3) 0.43125(18) 0.0293(5) Uani 1.000000 .
H1S H 0.7377(3) 0.8382(3) 0.47119(18) 0.0351(6) Uiso 1.000000 R
C1 C 1.4566(3) 0.6211(3) 0.3262(2) 0.0313(5) Uani 1.000000 .
C2 C 1.4286(3) 0.5991(2) 0.22927(19) 0.0275(5) Uani 1.000000 .
H2a H 1.3226(3) 0.6500(2) 0.19436(19) 0.0331(6) Uiso 1.000000 R
C3 C 1.5590(3) 0.5005(2) 0.18321(17) 0.0233(4) Uani 1.000000 .
H3 H 1.5418(3) 0.4832(2) 0.11612(17) 0.0279(5) Uiso 1.000000 R
C4 C 1.7147(3) 0.4266(2) 0.23418(16) 0.0221(4) Uani 1.000000 .
C5 C 1.7367(3) 0.4531(3) 0.33302(18) 0.0306(5) Uani 1.000000 .
H5 H 1.8421(3) 0.4034(3) 0.36867(18) 0.0367(6) Uiso 1.000000 R
C6 C 1.6070(3) 0.5510(3) 0.38013(19) 0.0369(6) Uani 1.000000 .
H6 H 1.6220(3) 0.5688(3) 0.44744(19) 0.0443(7) Uiso 1.000000 R
C7 C 1.8543(2) 0.3179(2) 0.18777(16) 0.0210(4) Uani 1.000000 .
C8 C 1.8914(2) 0.3388(2) 0.08309(16) 0.0193(4) Uani 1.000000 .
C9 C 2.0229(2) 0.2300(2) 0.04152(15) 0.0189(4) Uani 1.000000 .
C10 C 2.1280(2) 0.0969(2) 0.10476(16) 0.0207(4) Uani 1.000000 .
C11 C 2.0928(3) 0.0773(2) 0.20861(17) 0.0256(5) Uani 1.000000 .
H11 H 2.1617(3) -0.0108(2) 0.25414(17) 0.0307(5) Uiso 1.000000 R
C12 C 1.9586(3) 0.1837(2) 0.24809(17) 0.0259(5) Uani 1.000000 .
H12 H 1.9378(3) 0.1635(2) 0.31919(17) 0.0310(5) Uiso 1.000000 R
C13 C 2.2717(2) -0.0172(2) 0.06526(16) 0.0199(4) Uani 1.000000 .
C14 C 2.2624(3) -0.0694(2) -0.02498(17) 0.0237(4) Uani 1.000000 .
H14 H 2.1625(3) -0.0287(2) -0.06660(17) 0.0284(5) Uiso 1.000000 R
C15 C 2.4015(3) -0.1820(2) -0.05324(17) 0.0244(4) Uani 1.000000 .
H15 H 2.3927(3) -0.2181(2) -0.11413(17) 0.0293(5) Uiso 1.000000 R
C16 C 2.5570(3) -0.1885(2) 0.08483(17) 0.0240(4) Uani 1.000000 .
H16 H 2.6601(3) -0.2273(2) 0.12258(17) 0.0288(5) Uiso 1.000000 R
C17 C 2.4239(3) -0.0786(2) 0.12018(16) 0.0219(4) Uani 1.000000 .
H17 H 2.4364(3) -0.0452(2) 0.18163(16) 0.0263(5) Uiso 1.000000 R
C18 C 1.9098(2) 0.4124(2) -0.08355(15) 0.0193(4) Uani 1.000000 .
C19 C 1.8685(2) 0.5016(2) -0.18848(16) 0.0210(4) Uani 1.000000 .
C20 C 1.7614(3) 0.6503(2) -0.20821(17) 0.0248(4) Uani 1.000000 .
H20 H 1.7162(3) 0.7016(2) -0.15263(17) 0.0298(5) Uiso 1.000000 R
C21 C 1.7221(3) 0.7222(3) -0.31126(19) 0.0323(5) Uani 1.000000 .
H21 H 1.6495(3) 0.8240(3) -0.32413(19) 0.0388(6) Uiso 1.000000 R
C22 C 1.8827(3) 0.5149(3) -0.37271(18) 0.0315(5) Uani 1.000000 .
H22 H 1.9248(3) 0.4665(3) -0.42996(18) 0.0378(6) Uiso 1.000000 R
C23 C 1.9320(3) 0.4337(2) -0.27335(17) 0.0273(5) Uani 1.000000 .
H23 H 2.0081(3) 0.3329(2) -0.26309(17) 0.0328(6) Uiso 1.000000 R
Cl1 Cl 0.97937(7) 0.85247(6) 0.44228(5) 0.03667(19) Uani 1.000000 .
Cl2 Cl 0.66674(9) 1.07680(8) 0.48270(6) 0.0500(2) Uani 1.000000 .
Cl3 Cl 0.70142(9) 0.94579(9) 0.29908(5) 0.0517(2) Uani 1.000000 .


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
F1 C1 1.360(3) . ?
N1 C15 1.341(3) . ?
N1 C16 1.339(3) . ?
N2 C8 1.384(3) . ?
N2 C18 1.369(3) . ?
N3 C9 1.383(3) . ?
N3 C18 1.321(3) . ?
N4 C21 1.330(3) . ?
N4 C22 1.336(3) . ?
C1S Cl1 1.757(2) . ?
C1S Cl2 1.754(2) . ?
C1S Cl3 1.761(2) . ?
C1 C2 1.368(4) . ?
C1 C6 1.372(4) . ?
C2 C3 1.389(3) . ?
C3 C4 1.395(3) . ?
C4 C5 1.396(3) . ?
C4 C7 1.481(3) . ?
C5 C6 1.390(3) . ?
C7 C8 1.405(3) . ?
C7 C12 1.393(3) . ?
C8 C9 1.412(3) . ?
C9 C10 1.404(3) . ?
C10 C11 1.388(3) . ?
C10 C13 1.482(3) . ?
C11 C12 1.399(3) . ?
C13 C14 1.392(3) . ?
C13 C17 1.394(3) . ?
C14 C15 1.389(3) . ?
C16 C17 1.386(3) . ?
C18 C19 1.466(3) . ?
C19 C20 1.390(3) . ?
C19 C23 1.391(3) . ?
C20 C21 1.389(3) . ?
C22 C23 1.380(3) . ?

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
C16 N1 C15 116.67(18) . . ?
C18 N2 C8 106.57(16) . . ?
C18 N3 C9 104.64(16) . . ?
C22 N4 C21 116.6(2) . . ?
Cl2 C1S Cl1 110.54(13) . . ?
Cl3 C1S Cl1 109.17(13) . . ?
Cl3 C1S Cl2 110.54(12) . . ?
C2 C1 F1 118.3(2) . . ?
C6 C1 F1 118.3(2) . . ?
C6 C1 C2 123.4(2) . . ?
C3 C2 C1 118.3(2) . . ?
C4 C3 C2 120.9(2) . . ?
C5 C4 C3 118.52(19) . . ?
C7 C4 C3 121.71(19) . . ?
C7 C4 C5 119.73(19) . . ?
C6 C5 C4 121.1(2) . . ?
C5 C6 C1 117.8(2) . . ?
C8 C7 C4 124.30(18) . . ?
C12 C7 C4 120.43(18) . . ?
C12 C7 C8 115.26(18) . . ?
C7 C8 N2 132.72(18) . . ?
C9 C8 N2 105.01(17) . . ?
C9 C8 C7 122.27(18) . . ?
C8 C9 N3 110.27(17) . . ?
C10 C9 N3 128.55(18) . . ?
C10 C9 C8 121.13(18) . . ?
C11 C10 C9 116.51(18) . . ?
C13 C10 C9 122.80(18) . . ?
C13 C10 C11 120.68(18) . . ?
C12 C11 C10 121.85(19) . . ?
C11 C12 C7 122.91(19) . . ?
C14 C13 C10 122.88(18) . . ?
C17 C13 C10 119.90(18) . . ?
C17 C13 C14 117.21(18) . . ?
C15 C14 C13 118.95(19) . . ?
C14 C15 N1 124.0(2) . . ?
C17 C16 N1 123.31(19) . . ?
C16 C17 C13 119.77(19) . . ?
N3 C18 N2 113.50(17) . . ?
C19 C18 N2 123.73(17) . . ?
C19 C18 N3 122.66(18) . . ?
C20 C19 C18 123.08(19) . . ?
C23 C19 C18 118.92(18) . . ?
C23 C19 C20 117.90(19) . . ?
C21 C20 C19 118.3(2) . . ?
C20 C21 N4 124.3(2) . . ?
C23 C22 N4 123.8(2) . . ?
C22 C23 C19 119.0(2) . . ?

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: chloroform'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_IE102M_0M_SQ
_database_code_depnum_ccdc_archive 'CCDC 1025105'
_audit_update_record             
;
2014-11-04 deposited with the CCDC.
2014-12-02 downloaded from the CCDC.
;
_audit_creation_date             2014-11-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C200 H164 F4 N16 P8 Pt4, 8(C F3 O3 S)'
_chemical_formula_sum            'C246 H240 Cl76 F28 N16 O24 P8 Pt4 S8'
_chemical_formula_weight         8315.33
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   23.492(8)
_cell_length_b                   23.764(8)
_cell_length_c                   27.348(10)
_cell_angle_alpha                80.079(4)
_cell_angle_beta                 79.153(4)
_cell_angle_gamma                88.711(4)
_cell_volume                     14769(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7983
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.66
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.760
_exptl_absorpt_correction_T_max  0.6456
_exptl_absorpt_correction_T_min  0.4814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0907 before and 0.0618 after correction. The Ratio of minimum to maximum transmission is 0.7457. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             8248
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_exptl_special_details           
'The data collection nominally covered a full sphere of reciprocal space by a combination of 4 sets of ω scans each set at different φ and/or 2θ angles and each scan (30 s exposure) covering -0.500° degrees in ω. The crystal to detector distance was 5.9 cm.'
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1500
_diffrn_reflns_av_unetI/netI     0.1812
_diffrn_reflns_Laue_measured_fraction_full 0.675
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            106206
_diffrn_reflns_point_group_measured_fraction_full 0.675
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         21.967
_diffrn_reflns_theta_min         1.058
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.675
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  Parallel,graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20300
_reflns_number_total             36047
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2008)'
_refine_diff_density_max         3.036
_refine_diff_density_min         -3.692
_refine_diff_density_rms         0.226
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1282
_refine_ls_number_reflns         36047
_refine_ls_number_restraints     1940
_refine_ls_R_factor_all          0.2296
_refine_ls_R_factor_gt           0.1646
_refine_ls_restrained_S_all      1.035
_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)+(0.0971P)²+1127.4922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3757
_refine_ls_wR_factor_ref         0.4121
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H10E(0.069) H20E(0.124) H30E(0.057) H40E(0.076) H10A(0.063)
 H10B(0.06) H10C(0.058) H10D(0.049) H11A(0.047) H11B(0.055) H11C(0.056)
 H11D(0.078) H11E(0.113) H11F(0.085) H12G(0.061) H12H(0.071) H12I(0.074)
 H12J(0.051) H12A(0.059) H12B(0.059) H12C(0.053) H12D(0.053) H12E(0.052)
 H12F(0.052) H13A(0.134) H13B(0.201) H13C(0.206) H13D(0.17) H13E(0.114)
 H14A(0.062) H14B(0.088) H14C(0.091) H14D(0.092) H14E(0.08) H15A(0.105)
 H15B(0.112) H15C(0.08) H15D(0.043) H15E(0.066) H16A(0.136) H16B(0.132)
 H16C(0.121) H16D(0.073) H16E(0.07) H20A(0.101) H20B(0.093) H20C(0.124)
 H20D(0.097) H21A(0.161) H21B(0.126) H21C(0.138) H21D(0.145) H21E(0.164)
 H21F(0.141) H22G(0.09) H22H(0.042) H22I(0.076) H22J(0.082) H22A(0.12)
 H22B(0.12) H22C(0.123) H22D(0.123) H22E(0.11) H22F(0.11) H23A(0.253)
 H23B(0.27) H23C(0.284) H23D(0.259) H23E(0.228) H24A(0.178) H24B(0.217)
 H24C(0.247) H24D(0.205) H24E(0.137) H25A(0.096) H25B(0.123) H25C(0.1)
 H25D(0.124) H25E(0.138) H26A(0.143) H26B(0.131) H26C(0.165) H26D(0.128)
 H26E(0.153) H30A(0.048) H30B(0.051) H30C(0.082) H30D(0.07) H31A(0.042)
 H31B(0.057) H31C(0.047) H31D(0.053) H31E(0.05) H31F(0.048) H32G(0.079)
 H32H(0.062) H32I(0.064) H32J(0.054) H32A(0.072) H32B(0.072) H32C(0.077)
 H32D(0.077) H32E(0.079) H32F(0.079) H33A(0.096) H33B(0.114) H33C(0.074)
 H33D(0.104) H33E(0.076) H34A(0.073) H34B(0.122) H34C(0.158) H34D(0.132)
 H34E(0.117) H35A(0.124) H35B(0.192) H35C(0.207) H35D(0.198) H35E(0.171)
 H36A(0.075) H36B(0.094) H36C(0.114) H36D(0.117) H36E(0.101) H40A(0.064)
 H40B(0.067) H40C(0.071) H40D(0.056) H41A(0.062) H41B(0.106) H41C(0.25)
 H41D(0.17) H41E(0.207) H41F(0.194) H42G(0.065) H42H(0.065) H42I(0.051)
 H42J(0.064) H42A(0.121) H42B(0.121) H42C(0.144) H42D(0.144) H42E(0.106)
 H42F(0.106) H43A(0.149) H43B(0.161) H43C(0.162) H43D(0.171) H43E(0.135)
 H44A(0.136) H44B(0.15) H44C(0.15) H44D(0.136) H44E(0.099) H45A(0.076)
 H45B(0.173) H45C(0.13) H45D(0.135) H45E(0.109) H46A(0.14) H46B(0.12)
 H46C(0.172) H46D(0.148) H46E(0.142)
 Fixed X: H10E(2.0875) H20E(2.3408) H30E(2.4759) H40E(2.2726) H10A(2.22)
 H10B(2.1736) H10C(2.3226) H10D(2.369) H11A(2.2207) H11B(2.2613) H11C(2.1296)
 H11D(2.0927) H11E(2.1097) H11F(2.1467) H12G(2.1217) H12H(2.0743) H12I(1.9878)
 H12J(2.0353) H12A(2.3111) H12B(2.3728) H12C(2.35) H12D(2.3982) H12E(2.3207)
 H12F(2.2789) H13A(2.4529) H13B(2.4429) H13C(2.358) H13D(2.2831) H13E(2.2931)
 H14A(2.475) H14B(2.5742) H14C(2.6199) H14D(2.5665) H14E(2.4673) H15A(2.3844)
 H15B(2.4723) H15C(2.5447) H15D(2.5292) H15E(2.4412) H16A(2.3297) H16B(2.2523)
 H16C(2.1571) H16D(2.1394) H16E(2.2168) H20A(2.0372) H20B(2.1212) H20C(2.1954)
 H20D(2.1115) H21A(2.3184) H21B(2.2309) H21C(2.416) H21D(2.5085) H21E(2.4605)
 H21F(2.368) H22G(2.1748) H22H(2.1699) H22I(2.3283) H22J(2.3332) H22A(1.8671)
 H22B(1.857) H22C(1.846) H22D(1.7985) H22E(1.8061) H22F(1.8313) H23A(2.04)
 H23B(2.1042) H23C(2.089) H23D(2.0096) H23E(1.9455) H24A(1.872) H24B(1.87)
 H24C(1.9508) H24D(2.0337) H24E(2.0357) H25A(1.9918) H25B(1.9917) H25C(1.904)
 H25D(1.8166) H25E(1.8167) H26A(1.962) H26B(1.9645) H26C(1.9117) H26D(1.8564)
 H26E(1.8539) H30A(2.353) H30B(2.3986) H30C(2.244) H30D(2.1984) H31A(2.3416)
 H31B(2.3048) H31C(2.4377) H31D(2.4585) H31E(2.4162) H31F(2.3955) H32G(2.467)
 H32H(2.5261) H32I(2.5968) H32J(2.5378) H32A(2.2459) H32B(2.2924) H32C(2.1768)
 H32D(2.2276) H32E(2.2747) H32F(2.2171) H33A(2.1569) H33B(2.0592) H33C(1.9909)
 H33D(2.0204) H33E(2.1182) H34A(2.34) H34B(2.3874) H34C(2.3338) H34D(2.2326)
 H34E(2.1851) H35A(2.317) H35B(2.3474) H35C(2.2831) H35D(2.1883) H35E(2.1579)
 H36A(2.1142) H36B(2.0134) H36C(1.9664) H36D(2.0202) H36E(2.121) H40A(2.5682)
 H40B(2.4847) H40C(2.4344) H40D(2.5179) H41A(2.3139) H41B(2.3989) H41C(2.2197)
 H41D(2.1407) H41E(2.1792) H41F(2.2582) H42G(2.4171) H42H(2.4156) H42I(2.2668)
 H42J(2.2684) H42A(2.793) H42B(2.7598) H42C(2.8184) H42D(2.7697) H42E(2.7407)
 H42F(2.76) H43A(2.725) H43B(2.7135) H43C(2.67) H43D(2.6381) H43E(2.6497)
 H44A(2.7845) H44B(2.7934) H44C(2.7125) H44D(2.6227) H44E(2.6139) H45A(2.6119)
 H45B(2.5659) H45C(2.5606) H45D(2.6013) H45E(2.6473) H46A(2.748) H46B(2.7515)
 H46C(2.6776) H46D(2.6002) H46E(2.5968)
 Fixed Y: H10E(0.1258) H20E(0.3302) H30E(0.0572) H40E(-0.0761) H10A(-0.1617)
 H10B(-0.0845) H10C(-0.0422) H10D(-0.1193) H11A(0.0797) H11B(-0.0029)
 H11C(0.1992) H11D(0.279) H11E(0.1973) H11F(0.1175) H12G(-0.0086) H12H(-0.0023)
 H12I(0.1367) H12J(0.1304) H12A(-0.3606) H12B(-0.3895) H12C(-0.4148) H12D(-
 0.3659) H12E(-0.3595) H12F(-0.3457) H13A(-0.2503) H13B(-0.2434) H13C(-0.2764)
 H13D(-0.3161) H13E(-0.323) H14A(-0.2119) H14B(-0.2191) H14C(-0.3076) H14D(-
 0.3888) H14E(-0.3816) H15A(-0.3266) H15B(-0.3224) H15C(-0.2575) H15D(-0.197)
 H15E(-0.2013) H16A(-0.204) H16B(-0.1843) H16C(-0.2039) H16D(-0.2432) H16E(-
 0.2629) H20A(0.1876) H20B(0.2392) H20C(0.0938) H20D(0.0422) H21A(0.2045)
 H21B(0.1594) H21C(0.2795) H21D(0.3139) H21E(0.3247) H21F(0.2904) H22G(0.3054)
 H22H(0.3469) H22I(0.4194) H22J(0.3779) H22A(0.1209) H22B(0.0722) H22C(0.007)
 H22D(0.0549) H22E(0.0194) H22F(0.084) H23A(0.0585) H23B(0.1203) H23C(0.2189)
 H23D(0.2558) H23E(0.194) H24A(0.001) H24B(-0.0926) H24C(-0.1511) H24D(-0.1161)
 H24E(-0.0225) H25A(-0.0681) H25B(-0.1648) H25C(-0.2122) H25D(-0.1629) H25E(-
 0.0661) H26A(-0.0468) H26B(-0.039) H26C(0.0325) H26D(0.0961) H26E(0.0883)
 H30A(0.3563) H30B(0.2735) H30C(0.2108) H30D(0.2936) H31A(0.0847) H31B(0.1732)
 H31C(-0.0121) H31D(-0.1056) H31E(-0.0659) H31F(0.0276) H32G(0.2188)
 H32H(0.236) H32I(0.0793) H32J(0.0621) H32A(0.5116) H32B(0.5073) H32C(0.5432)
 H32D(0.5879) H32E(0.5562) H32F(0.5916) H33A(0.4836) H33B(0.4836) H33C(0.4318)
 H33D(0.3801) H33E(0.3801) H34A(0.4118) H34B(0.351) H34C(0.2872) H34D(0.2842)
 H34E(0.345) H35A(0.545) H35B(0.5623) H35C(0.5477) H35D(0.5159) H35E(0.4986)
 H36A(0.4249) H36B(0.4297) H36C(0.5168) H36D(0.5992) H36E(0.5944) H40A(0.0587)
 H40B(0.0159) H40C(0.1692) H40D(0.212) H41A(0.0723) H41B(0.1098) H41C(0.0599)
 H41D(0.0178) H41E(-0.135) H41F(-0.0929) H42G(-0.0652) H42H(-0.1248) H42I(-
 0.1989) H42J(-0.1392) H42A(0.1888) H42B(0.1354) H42C(0.1937) H42D(0.2413)
 H42E(0.1293) H42F(0.1816) H43A(0.104) H43B(0.0704) H43C(0.1282) H43D(0.2196)
 H43E(0.2532) H44A(0.2839) H44B(0.3826) H44C(0.4411) H44D(0.4009) H44E(0.3022)
 H45A(0.2397) H45B(0.2023) H45C(0.1033) H45D(0.0418) H45E(0.0793) H46A(0.2741)
 H46B(0.3724) H46C(0.4313) H46D(0.3919) H46E(0.2937)
 Fixed Z: H10E(-0.0631) H20E(-0.3865) H30E(-0.11) H40E(-0.352) H10A(-0.1008)
 H10B(-0.0678) H10C(-0.0279) H10D(-0.0609) H11A(0.0577) H11B(0.0303) H11C(-
 0.0405) H11D(-0.006) H11E(0.1333) H11F(0.0987) H12G(-0.1661) H12H(-0.2348)
 H12I(-0.1935) H12J(-0.1249) H12A(-0.1198) H12B(-0.1349) H12C(-0.0481) H12D(-
 0.0576) H12E(0.0094) H12F(-0.0309) H13A(-0.2427) H13B(-0.327) H13C(-0.3463)
 H13D(-0.2812) H13E(-0.1969) H14A(-0.1474) H14B(-0.1458) H14C(-0.1462) H14D(-
 0.1481) H14E(-0.1496) H15A(0.0521) H15B(0.0798) H15C(0.0343) H15D(-0.039)
 H15E(-0.0667) H16A(0.0529) H16B(0.1149) H16C(0.1083) H16D(0.0397) H16E(-
 0.0223) H20A(-0.3078) H20B(-0.3496) H20C(-0.3886) H20D(-0.3468) H21A(-0.5053)
 H21B(-0.4633) H21C(-0.4216) H21D(-0.462) H21E(-0.5981) H21F(-0.5577) H22G(-
 0.2626) H22H(-0.1903) H22I(-0.2474) H22J(-0.3197) H22A(-0.3374) H22B(-0.3685)
 H22C(-0.2985) H22D(-0.298) H22E(-0.2184) H22F(-0.2299) H23A(-0.4303) H23B(-
 0.4906) H23C(-0.5011) H23D(-0.4513) H23E(-0.391) H24A(-0.3893) H24B(-0.405)
 H24C(-0.3997) H24D(-0.3786) H24E(-0.363) H25A(-0.2417) H25B(-0.2487) H25C(-
 0.244) H25D(-0.2323) H25E(-0.2253) H26A(-0.1512) H26B(-0.0675) H26C(-0.0304)
 H26D(-0.0771) H26E(-0.1608) H30A(-0.1539) H30B(-0.1214) H30C(-0.0399) H30D(-
 0.0725) H31A(0.0452) H31B(0.014) H31C(-0.0649) H31D(-0.0301) H31E(0.1105)
 H31F(0.0757) H32G(-0.2177) H32H(-0.2979) H32I(-0.2703) H32J(-0.1901) H32A(-
 0.0258) H32B(-0.076) H32C(-0.0791) H32D(-0.0822) H32E(-0.1538) H32F(-0.1583)
 H33A(0.0178) H33B(0.0565) H33C(0.0295) H33D(-0.0362) H33E(-0.0749) H34A(-
 0.0524) H34B(0.0035) H34C(0.07) H34D(0.0807) H34E(0.0248) H35A(-0.2404) H35B(-
 0.3282) H35C(-0.3807) H35D(-0.3454) H35E(-0.2575) H36A(-0.1639) H36B(-0.1563)
 H36C(-0.1508) H36D(-0.153) H36E(-0.1606) H40A(-0.356) H40B(-0.3688) H40C(-
 0.4368) H40D(-0.424) H41A(-0.5009) H41B(-0.4857) H41C(-0.4927) H41D(-0.5141)
 H41E(-0.4365) H41F(-0.4151) H42G(-0.2633) H42H(-0.1855) H42I(-0.1989) H42J(-
 0.2768) H42A(-0.3458) H42B(-0.3568) H42C(-0.4286) H42D(-0.4222) H42E(-0.4423)
 H42F(-0.4877) H43A(-0.2739) H43B(-0.187) H43C(-0.1295) H43D(-0.1589) H43E(-
 0.2459) H44A(-0.3361) H44B(-0.3402) H44C(-0.3453) H44D(-0.3462) H44E(-0.342)
 H45A(-0.5242) H45B(-0.5805) H45C(-0.5764) H45D(-0.516) H45E(-0.4597) H46A(-
 0.5209) H46B(-0.5518) H46C(-0.5199) H46D(-0.4571) H46E(-0.4262)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 2.34041(6) -0.21615(5) -0.11230(5) 0.0456(4) Uani 1 1 d . . . . .
Pt2 Pt 1.99036(8) 0.06499(6) -0.28237(7) 0.0809(6) Uani 1 1 d . . . . .
Pt3 Pt 2.23601(6) 0.41224(5) -0.14133(6) 0.0555(4) Uani 1 1 d . . . . .
Pt4 Pt 2.61756(6) 0.17579(6) -0.36461(5) 0.0581(4) Uani 1 1 d . . . . .
P101 P 2.3839(4) -0.2893(3) -0.1472(3) 0.051(2) Uani 1 1 d D . . . .
P102 P 2.3374(3) -0.2653(3) -0.0346(3) 0.045(2) Uani 1 1 d D . . . .
P201 P 1.9522(7) 0.0666(5) -0.3517(6) 0.139(7) Uani 1 1 d D . . . .
P202 P 1.9094(5) 0.0180(5) -0.2322(5) 0.104(4) Uani 1 1 d D . . . .
P301 P 2.2215(4) 0.4343(3) -0.0623(4) 0.066(3) Uani 1 1 d D . . . .
P302 P 2.2052(4) 0.4988(3) -0.1733(4) 0.071(3) Uani 1 1 d D . . . .
P401 P 2.6925(4) 0.2069(4) -0.3361(4) 0.063(3) Uani 1 1 d D . . . .
P402 P 2.6660(4) 0.1981(4) -0.4434(4) 0.071(3) Uani 1 1 d D . . . .
N102 N 2.1521(10) 0.0165(9) -0.0877(8) 0.039(6) Uani 1 1 d . . . . .
N103 N 2.1096(12) 0.0954(10) -0.0633(9) 0.057(7) Uani 1 1 d . . . . .
H10E H 2.0875 0.1258 -0.0631 0.069 Uiso 1 1 calc R U . . .
N202 N 2.2226(14) 0.2680(12) -0.3431(9) 0.076(9) Uani 1 1 d . . . . .
N203 N 2.3095(16) 0.3085(16) -0.3795(10) 0.103(12) Uani 1 1 d . . . . .
H20E H 2.3408 0.3302 -0.3865 0.124 Uiso 1 1 calc R U . . .
N302 N 2.4241(11) 0.1773(9) -0.1356(8) 0.044(6) Uani 1 1 d . . . . .
N303 N 2.4568(10) 0.0894(10) -0.1091(8) 0.047(7) Uani 1 1 d . . . . .
H30E H 2.4759 0.0572 -0.1100 0.057 Uiso 1 1 calc R U . . .
N402 N 2.3883(10) -0.0201(10) -0.3408(8) 0.045(7) Uani 1 1 d . . . . .
N403 N 2.3037(12) -0.0544(10) -0.3566(11) 0.064(8) Uani 1 1 d . . . . .
H40E H 2.2726 -0.0761 -0.3520 0.076 Uiso 1 1 calc R U . . .
F101 F 2.0760(10) 0.2921(8) 0.0841(9) 0.107(8) Uani 1 1 d D U . . .
F201 F 2.5437(12) 0.3404(15) -0.5630(10) 0.203(16) Uani 1 1 d D U . . .
F301 F 2.4485(8) -0.1478(5) 0.0647(6) 0.072(6) Uani 1 1 d D U . . .
F401 F 2.1014(12) -0.0744(16) -0.4877(12) 0.199(16) Uani 1 1 d D U . . .
N101 N 2.2989(7) -0.1478(6) -0.0840(6) 0.032(5) Uani 1 1 d G U . . .
C101 C 2.2408(7) -0.1374(7) -0.0860(7) 0.052(8) Uiso 1 1 d G U . . .
H10A H 2.2200 -0.1617 -0.1008 0.063 Uiso 1 1 calc R U . . .
C102 C 2.2133(5) -0.0916(7) -0.0664(7) 0.050(8) Uiso 1 1 d G U . . .
H10B H 2.1736 -0.0845 -0.0678 0.060 Uiso 1 1 calc R U . . .
C103 C 2.2437(7) -0.0561(6) -0.0448(6) 0.029(6) Uiso 1 1 d G U . . .
C104 C 2.3018(7) -0.0664(6) -0.0427(7) 0.048(8) Uiso 1 1 d G U . . .
H10C H 2.3226 -0.0422 -0.0279 0.058 Uiso 1 1 calc R U . . .
C105 C 2.3294(5) -0.1123(7) -0.0623(6) 0.041(7) Uiso 1 1 d G U . . .
H10D H 2.3690 -0.1193 -0.0609 0.049 Uiso 1 1 calc R U . . .
C106 C 2.2152(8) -0.0019(6) -0.0259(7) 0.043(7) Uiso 1 1 d G U . . .
C107 C 2.1735(8) 0.0279(7) -0.0497(6) 0.036(7) Uiso 1 1 d G U . . .
C108 C 2.1494(7) 0.0770(7) -0.0334(7) 0.044(7) Uiso 1 1 d G U . . .
C109 C 2.1670(8) 0.0963(6) 0.0066(7) 0.041(7) Uiso 1 1 d G U . . .
C110 C 2.2087(8) 0.0665(7) 0.0304(6) 0.039(7) Uiso 1 1 d G U . . .
H11A H 2.2207 0.0797 0.0577 0.047 Uiso 1 1 calc R U . . .
C111 C 2.2328(7) 0.0175(7) 0.0141(6) 0.046(7) Uiso 1 1 d G U . . .
H11B H 2.2613 -0.0029 0.0303 0.055 Uiso 1 1 calc R U . . .
C112 C 2.1416(8) 0.1509(6) 0.0259(7) 0.043(7) Uiso 1 1 d G U . . .
C113 C 2.1256(9) 0.1988(8) -0.0052(6) 0.047(8) Uiso 1 1 d G U . . .
H11C H 2.1296 0.1992 -0.0405 0.056 Uiso 1 1 calc R U . . .
C114 C 2.1036(9) 0.2462(6) 0.0153(8) 0.065(9) Uiso 1 1 d G U . . .
H11D H 2.0927 0.2790 -0.0060 0.078 Uiso 1 1 calc R U . . .
C115 C 2.0977(9) 0.2456(8) 0.0669(9) 0.090(11) Uiso 1 1 d DG U . . .
C116 C 2.1138(10) 0.1977(10) 0.0980(6) 0.094(12) Uiso 1 1 d G U . . .
H11E H 2.1097 0.1973 0.1333 0.113 Uiso 1 1 calc R U . . .
C117 C 2.1357(10) 0.1503(8) 0.0775(7) 0.070(10) Uiso 1 1 d G U . . .
H11F H 2.1467 0.1175 0.0987 0.085 Uiso 1 1 calc R U . . .
C118 C 2.1133(15) 0.0533(15) -0.0946(13) 0.064(10) Uiso 1 1 d . . . . .
C119 C 2.0830(8) 0.0603(8) -0.1390(6) 0.049(8) Uiso 1 1 d G U . . .
C120 C 2.0946(8) 0.0209(7) -0.1717(7) 0.051(8) Uiso 1 1 d G U . . .
H12G H 2.1217 -0.0086 -0.1661 0.061 Uiso 1 1 calc R U . . .
C121 C 2.0663(8) 0.0247(7) -0.2125(6) 0.059(8) Uiso 1 1 d G U . . .
H12H H 2.0743 -0.0023 -0.2348 0.071 Uiso 1 1 calc R U . . .
N104 N 2.0265(8) 0.0678(8) -0.2206(6) 0.051(6) Uani 1 1 d G U . . .
C122 C 2.0150(7) 0.1072(7) -0.1880(7) 0.062(9) Uiso 1 1 d G U . . .
H12I H 1.9878 0.1367 -0.1935 0.074 Uiso 1 1 calc R U . . .
C123 C 2.0432(8) 0.1034(7) -0.1472(6) 0.042(7) Uiso 1 1 d G U . . .
H12J H 2.0353 0.1304 -0.1249 0.051 Uiso 1 1 calc R U . . .
C124 C 2.3525(13) -0.3598(9) -0.1170(10) 0.049(8) Uiso 1 1 d D . . . .
H12A H 2.3111 -0.3606 -0.1198 0.059 Uiso 1 1 calc R U . . .
H12B H 2.3728 -0.3895 -0.1349 0.059 Uiso 1 1 calc R U . . .
C125 C 2.3577(13) -0.3735(12) -0.0601(10) 0.044(8) Uiso 1 1 d . . . . .
H12C H 2.3500 -0.4148 -0.0481 0.053 Uiso 1 1 calc R U . . .
H12D H 2.3982 -0.3659 -0.0576 0.053 Uiso 1 1 calc R U . . .
C126 C 2.3192(12) -0.3419(8) -0.0259(11) 0.043(8) Uiso 1 1 d D . . . .
H12E H 2.3207 -0.3595 0.0094 0.052 Uiso 1 1 calc R U . . .
H12F H 2.2789 -0.3457 -0.0309 0.052 Uiso 1 1 calc R U . . .
C131 C 2.3739(13) -0.2873(12) -0.2119(7) 0.069(10) Uiso 1 1 d DG U . . .
C132 C 2.4184(11) -0.2637(13) -0.2505(12) 0.112(14) Uiso 1 1 d G U . . .
H13A H 2.4529 -0.2503 -0.2427 0.134 Uiso 1 1 calc R U . . .
C133 C 2.4125(15) -0.2596(15) -0.3006(9) 0.17(2) Uiso 1 1 d G U . . .
H13B H 2.4429 -0.2434 -0.3270 0.201 Uiso 1 1 calc R U . . .
C134 C 2.3621(18) -0.2791(16) -0.3121(7) 0.17(2) Uiso 1 1 d G U . . .
H13C H 2.3580 -0.2764 -0.3463 0.206 Uiso 1 1 calc R U . . .
C135 C 2.3176(13) -0.3028(14) -0.2734(13) 0.142(17) Uiso 1 1 d G U . . .
H13D H 2.2831 -0.3161 -0.2812 0.170 Uiso 1 1 calc R U . . .
C136 C 2.3235(11) -0.3068(12) -0.2233(10) 0.095(12) Uiso 1 1 d G U . . .
H13E H 2.2931 -0.3230 -0.1969 0.114 Uiso 1 1 calc R U . . .
C141 C 2.4618(6) -0.2961(9) -0.1486(8) 0.059(9) Uiso 1 1 d DG U . . .
C142 C 2.4936(8) -0.2478(7) -0.1475(8) 0.052(8) Uiso 1 1 d G U . . .
H14A H 2.4750 -0.2119 -0.1474 0.062 Uiso 1 1 calc R U . . .
C143 C 2.5525(8) -0.2521(8) -0.1466(9) 0.073(10) Uiso 1 1 d G U . . .
H14B H 2.5742 -0.2191 -0.1458 0.088 Uiso 1 1 calc R U . . .
C144 C 2.5796(6) -0.3046(10) -0.1468(9) 0.076(10) Uiso 1 1 d G U . . .
H14C H 2.6199 -0.3076 -0.1462 0.091 Uiso 1 1 calc R U . . .
C145 C 2.5479(9) -0.3529(8) -0.1479(9) 0.077(10) Uiso 1 1 d G U . . .
H14D H 2.5665 -0.3888 -0.1481 0.092 Uiso 1 1 calc R U . . .
C146 C 2.4890(8) -0.3486(7) -0.1489(9) 0.067(9) Uiso 1 1 d G U . . .
H14E H 2.4673 -0.3816 -0.1496 0.080 Uiso 1 1 calc R U . . .
C151 C 2.4045(6) -0.2643(9) -0.0099(8) 0.050(8) Uiso 1 1 d DG U . . .
C152 C 2.4138(8) -0.3003(9) 0.0336(8) 0.088(11) Uiso 1 1 d G U . . .
H15A H 2.3844 -0.3266 0.0521 0.105 Uiso 1 1 calc R U . . .
C153 C 2.4660(10) -0.2978(9) 0.0501(7) 0.093(12) Uiso 1 1 d G U . . .
H15B H 2.4723 -0.3224 0.0798 0.112 Uiso 1 1 calc R U . . .
C154 C 2.5090(7) -0.2593(9) 0.0230(8) 0.067(9) Uiso 1 1 d G U . . .
H15C H 2.5447 -0.2575 0.0343 0.080 Uiso 1 1 calc R U . . .
C155 C 2.4998(7) -0.2233(8) -0.0205(7) 0.036(7) Uiso 1 1 d G U . . .
H15D H 2.5292 -0.1970 -0.0390 0.043 Uiso 1 1 calc R U . . .
C156 C 2.4475(8) -0.2258(8) -0.0370(6) 0.055(8) Uiso 1 1 d G U . . .
H15E H 2.4412 -0.2013 -0.0667 0.066 Uiso 1 1 calc R U . . .
C161 C 2.2805(8) -0.2353(11) 0.0095(9) 0.082(11) Uiso 1 1 d DG U . . .
C162 C 2.2911(8) -0.2119(12) 0.0502(10) 0.114(14) Uiso 1 1 d G U . . .
H16A H 2.3297 -0.2040 0.0529 0.136 Uiso 1 1 calc R U . . .
C163 C 2.2451(12) -0.2002(12) 0.0870(8) 0.110(14) Uiso 1 1 d G U . . .
H16B H 2.2523 -0.1843 0.1149 0.132 Uiso 1 1 calc R U . . .
C164 C 2.1885(10) -0.2119(11) 0.0831(8) 0.101(13) Uiso 1 1 d G U . . .
H16C H 2.1571 -0.2039 0.1083 0.121 Uiso 1 1 calc R U . . .
C165 C 2.1780(7) -0.2352(10) 0.0424(9) 0.061(9) Uiso 1 1 d G U . . .
H16D H 2.1394 -0.2432 0.0397 0.073 Uiso 1 1 calc R U . . .
C166 C 2.2240(10) -0.2469(9) 0.0056(7) 0.059(9) Uiso 1 1 d G U . . .
H16E H 2.2168 -0.2629 -0.0223 0.070 Uiso 1 1 calc R U . . .
N201 N 2.0665(9) 0.1101(9) -0.3234(8) 0.073(8) Uani 1 1 d G U . . .
C201 C 2.0693(9) 0.1686(9) -0.3242(9) 0.084(10) Uiso 1 1 d G U . . .
H20A H 2.0372 0.1876 -0.3078 0.101 Uiso 1 1 calc R U . . .
C202 C 2.1192(11) 0.1992(8) -0.3491(10) 0.077(10) Uiso 1 1 d G U . . .
H20B H 2.1212 0.2392 -0.3496 0.093 Uiso 1 1 calc R U . . .
C203 C 2.1662(9) 0.1713(12) -0.3731(10) 0.109(14) Uiso 1 1 d G U . . .
C204 C 2.1633(9) 0.1128(12) -0.3722(10) 0.103(13) Uiso 1 1 d G U . . .
H20C H 2.1954 0.0938 -0.3886 0.124 Uiso 1 1 calc R U . . .
C205 C 2.1134(11) 0.0822(8) -0.3474(9) 0.081(10) Uiso 1 1 d G U . . .
H20D H 2.1115 0.0422 -0.3468 0.097 Uiso 1 1 calc R U . . .
C206 C 2.2193(10) 0.2021(12) -0.4036(11) 0.095(12) Uiso 1 1 d G U . . .
C207 C 2.2434(13) 0.2433(13) -0.3830(9) 0.107(13) Uiso 1 1 d G U . . .
C208 C 2.2953(13) 0.2700(11) -0.4079(12) 0.090(12) Uiso 1 1 d G U . . .
C209 C 2.3233(11) 0.2556(13) -0.4535(12) 0.121(15) Uiso 1 1 d G U . . .
C210 C 2.2993(14) 0.2143(14) -0.4741(9) 0.134(16) Uiso 1 1 d G U . . .
H21A H 2.3184 0.2045 -0.5053 0.161 Uiso 1 1 calc R U . . .
C211 C 2.2473(14) 0.1876(11) -0.4492(12) 0.105(13) Uiso 1 1 d G U . . .
H21B H 2.2309 0.1594 -0.4633 0.126 Uiso 1 1 calc R U . . .
C212 C 2.3833(10) 0.2817(12) -0.4859(12) 0.098(13) Uiso 1 1 d G U . . .
C213 C 2.4250(15) 0.2887(13) -0.4574(9) 0.115(14) Uiso 1 1 d G U . . .
H21C H 2.4160 0.2795 -0.4216 0.138 Uiso 1 1 calc R U . . .
C214 C 2.4800(12) 0.3091(13) -0.4814(14) 0.121(15) Uiso 1 1 d G U . . .
H21D H 2.5085 0.3139 -0.4620 0.145 Uiso 1 1 calc R U . . .
C215 C 2.4932(11) 0.3225(11) -0.5338(14) 0.129(16) Uiso 1 1 d DG U . . .
C216 C 2.4515(16) 0.3156(13) -0.5622(9) 0.136(17) Uiso 1 1 d G U . . .
H21E H 2.4605 0.3247 -0.5981 0.164 Uiso 1 1 calc R U . . .
C217 C 2.3965(13) 0.2951(14) -0.5383(12) 0.117(15) Uiso 1 1 d G U . . .
H21F H 2.3680 0.2904 -0.5577 0.141 Uiso 1 1 calc R U . . .
C218 C 2.2642(17) 0.3062(17) -0.3369(15) 0.078(11) Uiso 1 1 d . . . . .
C219 C 2.2545(10) 0.3377(9) -0.2980(6) 0.065(9) Uiso 1 1 d G U . . .
C220 C 2.2059(8) 0.3286(8) -0.2595(8) 0.075(10) Uiso 1 1 d G U . . .
H22G H 2.1748 0.3054 -0.2626 0.090 Uiso 1 1 calc R U . . .
C221 C 2.2030(7) 0.3532(8) -0.2166(6) 0.035(6) Uiso 1 1 d G U . . .
H22H H 2.1699 0.3469 -0.1903 0.042 Uiso 1 1 calc R U . . .
N204 N 2.2486(8) 0.3871(7) -0.2121(6) 0.059(7) Uani 1 1 d G U . . .
C222 C 2.2971(7) 0.3963(8) -0.2505(7) 0.064(9) Uiso 1 1 d G U . . .
H22I H 2.3283 0.4194 -0.2474 0.076 Uiso 1 1 calc R U . . .
C223 C 2.3000(8) 0.3716(9) -0.2935(6) 0.068(9) Uiso 1 1 d G U . . .
H22J H 2.3332 0.3779 -0.3197 0.082 Uiso 1 1 calc R U . . .
C224 C 1.8729(10) 0.0798(19) -0.3392(16) 0.100(14) Uiso 1 1 d D . . . .
H22A H 1.8671 0.1209 -0.3374 0.120 Uiso 1 1 calc R U . . .
H22B H 1.8570 0.0722 -0.3685 0.120 Uiso 1 1 calc R U . . .
C225 C 1.839(2) 0.0472(19) -0.2940(16) 0.103(14) Uiso 1 1 d . . . . .
H22C H 1.8460 0.0070 -0.2985 0.123 Uiso 1 1 calc R U . . .
H22D H 1.7985 0.0549 -0.2980 0.123 Uiso 1 1 calc R U . . .
C226 C 1.8371(11) 0.0455(18) -0.2391(15) 0.092(13) Uiso 1 1 d D . . . .
H22E H 1.8061 0.0194 -0.2184 0.110 Uiso 1 1 calc R U . . .
H22F H 1.8313 0.0840 -0.2299 0.110 Uiso 1 1 calc R U . . .
C231 C 1.987(2) 0.120(2) -0.4050(14) 0.19(2) Uiso 1 1 d DG U . . .
C232 C 2.034(3) 0.0985(15) -0.435(2) 0.21(2) Uiso 1 1 d G U . . .
H23A H 2.0400 0.0585 -0.4303 0.253 Uiso 1 1 calc R U . . .
C233 C 2.0719(18) 0.135(3) -0.4704(18) 0.23(3) Uiso 1 1 d G U . . .
H23B H 2.1042 0.1203 -0.4906 0.270 Uiso 1 1 calc R U . . .
C234 C 2.063(2) 0.194(3) -0.4766(16) 0.24(3) Uiso 1 1 d G U . . .
H23C H 2.0890 0.2189 -0.5011 0.284 Uiso 1 1 calc R U . . .
C235 C 2.016(3) 0.2158(14) -0.447(2) 0.22(2) Uiso 1 1 d G U . . .
H23D H 2.0096 0.2558 -0.4513 0.259 Uiso 1 1 calc R U . . .
C236 C 1.9777(18) 0.179(3) -0.4113(16) 0.19(2) Uiso 1 1 d G U . . .
H23E H 1.9455 0.1940 -0.3910 0.228 Uiso 1 1 calc R U . . .
C241 C 1.9541(18) -0.0019(10) -0.3747(12) 0.121(15) Uiso 1 1 d DG U . . .
C242 C 1.9048(14) -0.0227(16) -0.3871(14) 0.149(18) Uiso 1 1 d G U . . .
H24A H 1.8720 0.0010 -0.3893 0.178 Uiso 1 1 calc R U . . .
C243 C 1.9036(16) -0.0783(17) -0.3965(15) 0.18(2) Uiso 1 1 d G U . . .
H24B H 1.8700 -0.0926 -0.4050 0.217 Uiso 1 1 calc R U . . .
C244 C 1.952(2) -0.1131(10) -0.3933(16) 0.21(2) Uiso 1 1 d G U . . .
H24C H 1.9508 -0.1511 -0.3997 0.247 Uiso 1 1 calc R U . . .
C245 C 2.0008(17) -0.0923(14) -0.3808(14) 0.17(2) Uiso 1 1 d G U . . .
H24D H 2.0337 -0.1161 -0.3786 0.205 Uiso 1 1 calc R U . . .
C246 C 2.0021(13) -0.0367(16) -0.3715(12) 0.115(14) Uiso 1 1 d G U . . .
H24E H 2.0357 -0.0225 -0.3630 0.137 Uiso 1 1 calc R U . . .
C251 C 1.9042(13) -0.0580(7) -0.2328(10) 0.083(11) Uiso 1 1 d DG U . . .
C252 C 1.9562(10) -0.0873(10) -0.2398(10) 0.080(11) Uiso 1 1 d G U . . .
H25A H 1.9918 -0.0681 -0.2417 0.096 Uiso 1 1 calc R U . . .
C253 C 1.9561(10) -0.1448(10) -0.2439(10) 0.103(13) Uiso 1 1 d G U . . .
H25B H 1.9917 -0.1648 -0.2487 0.123 Uiso 1 1 calc R U . . .
C254 C 1.9041(13) -0.1730(7) -0.2411(10) 0.083(11) Uiso 1 1 d G U . . .
H25C H 1.9040 -0.2122 -0.2440 0.100 Uiso 1 1 calc R U . . .
C255 C 1.8521(10) -0.1436(10) -0.2342(10) 0.103(13) Uiso 1 1 d G U . . .
H25D H 1.8166 -0.1629 -0.2323 0.124 Uiso 1 1 calc R U . . .
C256 C 1.8522(10) -0.0862(10) -0.2301(11) 0.115(14) Uiso 1 1 d G U . . .
H25E H 1.8167 -0.0661 -0.2253 0.138 Uiso 1 1 calc R U . . .
C261 C 1.9077(14) 0.0200(14) -0.1638(7) 0.093(12) Uiso 1 1 d DG U . . .
C262 C 1.9406(12) -0.0178(12) -0.1361(11) 0.119(15) Uiso 1 1 d G U . . .
H26A H 1.9620 -0.0468 -0.1512 0.143 Uiso 1 1 calc R U . . .
C264 C 1.9421(13) -0.0132(12) -0.0864(11) 0.109(14) Uiso 1 1 d G U . . .
H26B H 1.9645 -0.0390 -0.0675 0.131 Uiso 1 1 calc R U . . .
C263 C 1.9107(14) 0.0293(14) -0.0644(7) 0.137(17) Uiso 1 1 d G U . . .
H26C H 1.9117 0.0325 -0.0304 0.165 Uiso 1 1 calc R U . . .
C265 C 1.8778(13) 0.0671(12) -0.0921(11) 0.106(14) Uiso 1 1 d G U . . .
H26D H 1.8564 0.0961 -0.0771 0.128 Uiso 1 1 calc R U . . .
C266 C 1.8763(12) 0.0624(12) -0.1418(11) 0.128(16) Uiso 1 1 d G U . . .
H26E H 1.8539 0.0883 -0.1608 0.153 Uiso 1 1 calc R U . . .
N301 N 2.2714(7) 0.3328(6) -0.1163(7) 0.070(8) Uani 1 1 d G U . . .
C301 C 2.3309(7) 0.3268(6) -0.1308(6) 0.040(7) Uiso 1 1 d G U . . .
H30A H 2.3530 0.3563 -0.1539 0.048 Uiso 1 1 calc R U . . .
C302 C 2.3580(6) 0.2776(8) -0.1115(7) 0.043(7) Uiso 1 1 d G U . . .
H30B H 2.3986 0.2735 -0.1214 0.051 Uiso 1 1 calc R U . . .
C303 C 2.3256(8) 0.2344(6) -0.0776(7) 0.052(8) Uiso 1 1 d G U . . .
C304 C 2.2662(8) 0.2404(7) -0.0631(7) 0.068(10) Uiso 1 1 d G U . . .
H30C H 2.2440 0.2108 -0.0399 0.082 Uiso 1 1 calc R U . . .
C305 C 2.2390(6) 0.2896(8) -0.0824(7) 0.058(8) Uiso 1 1 d G U . . .
H30D H 2.1984 0.2936 -0.0725 0.070 Uiso 1 1 calc R U . . .
C306 C 2.3541(8) 0.1815(6) -0.0567(6) 0.045(7) Uiso 1 1 d G U . . .
C307 C 2.3964(8) 0.1553(7) -0.0877(5) 0.038(7) Uiso 1 1 d G U . . .
C308 C 2.4183(7) 0.1027(7) -0.0691(6) 0.027(6) Uiso 1 1 d G U . . .
C309 C 2.3979(7) 0.0764(6) -0.0196(6) 0.043(7) Uiso 1 1 d G U . . .
C310 C 2.3556(7) 0.1027(7) 0.0114(5) 0.035(7) Uiso 1 1 d G U . . .
H31A H 2.3416 0.0847 0.0452 0.042 Uiso 1 1 calc R U . . .
C311 C 2.3337(7) 0.1552(7) -0.0071(6) 0.048(8) Uiso 1 1 d G U . . .
H31B H 2.3048 0.1732 0.0140 0.057 Uiso 1 1 calc R U . . .
C312 C 2.4147(7) 0.0165(5) 0.0021(6) 0.028(6) Uiso 1 1 d G U . . .
C313 C 2.4334(8) -0.0230(6) -0.0293(4) 0.040(7) Uiso 1 1 d G U . . .
H31C H 2.4377 -0.0121 -0.0649 0.047 Uiso 1 1 calc R U . . .
C314 C 2.4457(8) -0.0786(6) -0.0086(6) 0.044(7) Uiso 1 1 d G U . . .
H31D H 2.4585 -0.1056 -0.0301 0.053 Uiso 1 1 calc R U . . .
C315 C 2.4393(8) -0.0945(5) 0.0435(6) 0.049(8) Uiso 1 1 d DG U . . .
C316 C 2.4206(8) -0.0550(7) 0.0749(4) 0.041(7) Uiso 1 1 d G U . . .
H31E H 2.4162 -0.0659 0.1105 0.050 Uiso 1 1 calc R U . . .
C317 C 2.4083(8) 0.0005(6) 0.0542(5) 0.040(7) Uiso 1 1 d G U . . .
H31F H 2.3955 0.0276 0.0757 0.048 Uiso 1 1 calc R U . . .
C318 C 2.4603(12) 0.1325(12) -0.1456(10) 0.034(7) Uiso 1 1 d . . . . .
C319 C 2.4968(8) 0.1388(8) -0.1964(5) 0.049(8) Uiso 1 1 d G U . . .
C320 C 2.4934(8) 0.1905(7) -0.2284(7) 0.066(9) Uiso 1 1 d G U . . .
H32G H 2.4670 0.2188 -0.2177 0.079 Uiso 1 1 calc R U . . .
C321 C 2.5285(8) 0.2007(6) -0.2760(6) 0.052(8) Uiso 1 1 d G U . . .
H32H H 2.5261 0.2360 -0.2979 0.062 Uiso 1 1 calc R U . . .
N304 N 2.5670(7) 0.1593(7) -0.2917(5) 0.047(6) Uani 1 1 d G U . . .
C322 C 2.5705(7) 0.1076(7) -0.2597(6) 0.053(8) Uiso 1 1 d G U . . .
H32I H 2.5968 0.0793 -0.2703 0.064 Uiso 1 1 calc R U . . .
C323 C 2.5354(8) 0.0974(6) -0.2120(6) 0.045(7) Uiso 1 1 d G U . . .
H32J H 2.5378 0.0621 -0.1901 0.054 Uiso 1 1 calc R U . . .
C324 C 2.2505(14) 0.5052(9) -0.0611(13) 0.060(9) Uiso 1 1 d D . . . .
H32A H 2.2459 0.5116 -0.0258 0.072 Uiso 1 1 calc R U . . .
H32B H 2.2924 0.5073 -0.0760 0.072 Uiso 1 1 calc R U . . .
C325 C 2.2189(15) 0.5505(14) -0.0905(12) 0.065(10) Uiso 1 1 d . . . . .
H32C H 2.1768 0.5432 -0.0791 0.077 Uiso 1 1 calc R U . . .
H32D H 2.2276 0.5879 -0.0822 0.077 Uiso 1 1 calc R U . . .
C326 C 2.2319(15) 0.5545(12) -0.1435(12) 0.066(10) Uiso 1 1 d D . . . .
H32E H 2.2747 0.5562 -0.1538 0.079 Uiso 1 1 calc R U . . .
H32F H 2.2171 0.5916 -0.1583 0.079 Uiso 1 1 calc R U . . .
C331 C 2.1467(6) 0.4319(10) -0.0322(8) 0.069(10) Uiso 1 1 d DG U . . .
C332 C 2.1292(8) 0.4626(10) 0.0068(9) 0.080(11) Uiso 1 1 d G U . . .
H33A H 2.1569 0.4836 0.0178 0.096 Uiso 1 1 calc R U . . .
C333 C 2.0711(10) 0.4626(10) 0.0298(8) 0.095(12) Uiso 1 1 d G U . . .
H33B H 2.0592 0.4836 0.0565 0.114 Uiso 1 1 calc R U . . .
C334 C 2.0306(6) 0.4318(10) 0.0138(8) 0.062(9) Uiso 1 1 d G U . . .
H33C H 1.9909 0.4318 0.0295 0.074 Uiso 1 1 calc R U . . .
C335 C 2.0481(8) 0.4011(9) -0.0253(9) 0.086(11) Uiso 1 1 d G U . . .
H33D H 2.0204 0.3801 -0.0362 0.104 Uiso 1 1 calc R U . . .
C336 C 2.1062(9) 0.4011(9) -0.0483(7) 0.063(9) Uiso 1 1 d G U . . .
H33E H 2.1182 0.3801 -0.0749 0.076 Uiso 1 1 calc R U . . .
C341 C 2.2581(10) 0.3841(9) -0.0190(8) 0.068(10) Uiso 1 1 d DG U . . .
C342 C 2.3182(10) 0.3859(9) -0.0254(8) 0.061(9) Uiso 1 1 d G U . . .
H34A H 2.3400 0.4118 -0.0524 0.073 Uiso 1 1 calc R U . . .
C343 C 2.3464(8) 0.3498(12) 0.0078(10) 0.101(13) Uiso 1 1 d G U . . .
H34B H 2.3874 0.3510 0.0035 0.122 Uiso 1 1 calc R U . . .
C344 C 2.3145(13) 0.3119(11) 0.0473(10) 0.132(16) Uiso 1 1 d G U . . .
H34C H 2.3338 0.2872 0.0700 0.158 Uiso 1 1 calc R U . . .
C345 C 2.2544(13) 0.3101(10) 0.0537(8) 0.110(14) Uiso 1 1 d G U . . .
H34D H 2.2326 0.2842 0.0807 0.132 Uiso 1 1 calc R U . . .
C346 C 2.2262(8) 0.3462(11) 0.0205(10) 0.097(12) Uiso 1 1 d G U . . .
H34E H 2.1851 0.3450 0.0248 0.117 Uiso 1 1 calc R U . . .
C351 C 2.2346(15) 0.5202(13) -0.2407(7) 0.104(13) Uiso 1 1 d DG U . . .
C352 C 2.2909(13) 0.5391(13) -0.2617(11) 0.103(13) Uiso 1 1 d G U . . .
H35A H 2.3170 0.5450 -0.2404 0.124 Uiso 1 1 calc R U . . .
C353 C 2.3090(13) 0.5493(15) -0.3139(13) 0.160(19) Uiso 1 1 d G U . . .
H35B H 2.3474 0.5623 -0.3282 0.192 Uiso 1 1 calc R U . . .
C354 C 2.2707(19) 0.5407(16) -0.3451(7) 0.17(2) Uiso 1 1 d G U . . .
H35C H 2.2831 0.5477 -0.3807 0.207 Uiso 1 1 calc R U . . .
C355 C 2.2145(17) 0.5218(16) -0.3241(13) 0.16(2) Uiso 1 1 d G U . . .
H35D H 2.1883 0.5159 -0.3454 0.198 Uiso 1 1 calc R U . . .
C356 C 2.1964(11) 0.5115(14) -0.2719(14) 0.142(17) Uiso 1 1 d G U . . .
H35E H 2.1579 0.4986 -0.2575 0.171 Uiso 1 1 calc R U . . .
C361 C 2.1271(6) 0.5092(10) -0.1630(9) 0.061(9) Uiso 1 1 d DG U . . .
C362 C 2.0951(9) 0.4602(8) -0.1617(9) 0.062(9) Uiso 1 1 d G U . . .
H36A H 2.1142 0.4249 -0.1639 0.075 Uiso 1 1 calc R U . . .
C363 C 2.0352(9) 0.4631(9) -0.1572(9) 0.079(11) Uiso 1 1 d G U . . .
H36B H 2.0134 0.4297 -0.1563 0.094 Uiso 1 1 calc R U . . .
C364 C 2.0073(6) 0.5149(11) -0.1539(10) 0.095(12) Uiso 1 1 d G U . . .
H36C H 1.9664 0.5168 -0.1508 0.114 Uiso 1 1 calc R U . . .
C365 C 2.0393(9) 0.5638(9) -0.1552(10) 0.098(13) Uiso 1 1 d G U . . .
H36D H 2.0202 0.5992 -0.1530 0.117 Uiso 1 1 calc R U . . .
C366 C 2.0992(9) 0.5610(8) -0.1598(9) 0.084(11) Uiso 1 1 d G U . . .
H36E H 2.1210 0.5944 -0.1606 0.101 Uiso 1 1 calc R U . . .
N401 N 2.5509(6) 0.1394(8) -0.3888(7) 0.059(7) Uani 1 1 d G U . . .
C401 C 2.5410(7) 0.0811(7) -0.3724(7) 0.053(8) Uiso 1 1 d G U . . .
H40A H 2.5682 0.0587 -0.3560 0.064 Uiso 1 1 calc R U . . .
C402 C 2.4914(9) 0.0557(6) -0.3800(8) 0.056(8) Uiso 1 1 d G U . . .
H40B H 2.4847 0.0159 -0.3688 0.067 Uiso 1 1 calc R U . . .
C403 C 2.4517(7) 0.0885(8) -0.4040(8) 0.061(9) Uiso 1 1 d G U . . .
C404 C 2.4615(7) 0.1468(8) -0.4204(7) 0.059(9) Uiso 1 1 d G U . . .
H40C H 2.4344 0.1692 -0.4368 0.071 Uiso 1 1 calc R U . . .
C405 C 2.5111(8) 0.1722(6) -0.4128(7) 0.047(7) Uiso 1 1 d G U . . .
H40D H 2.5179 0.2120 -0.4240 0.056 Uiso 1 1 calc R U . . .
C406 C 2.4006(8) 0.0560(9) -0.4193(9) 0.064(9) Uiso 1 1 d G U . . .
C407 C 2.3716(9) 0.0109(9) -0.3852(7) 0.062(9) Uiso 1 1 d G U . . .
C408 C 2.3211(9) -0.0114(8) -0.3943(7) 0.046(7) Uiso 1 1 d G U . . .
C409 C 2.2996(7) 0.0115(9) -0.4374(8) 0.058(9) Uiso 1 1 d G U . . .
C410 C 2.3286(9) 0.0567(9) -0.4715(6) 0.052(8) Uiso 1 1 d G U . . .
H41A H 2.3139 0.0723 -0.5009 0.062 Uiso 1 1 calc R U . . .
C411 C 2.3791(9) 0.0789(8) -0.4624(8) 0.088(11) Uiso 1 1 d G U . . .
H41B H 2.3989 0.1098 -0.4857 0.106 Uiso 1 1 calc R U . . .
C412 C 2.2464(11) -0.0126(16) -0.4519(12) 0.087(12) Uiso 1 1 d G U . . .
C413 C 2.2115(17) 0.0203(12) -0.4813(14) 0.21(2) Uiso 1 1 d G U . . .
H41C H 2.2197 0.0599 -0.4927 0.250 Uiso 1 1 calc R U . . .
C414 C 2.1646(15) -0.0047(19) -0.4940(12) 0.142(17) Uiso 1 1 d G U . . .
H41D H 2.1407 0.0178 -0.5141 0.170 Uiso 1 1 calc R U . . .
C415 C 2.1525(11) -0.063(2) -0.4773(13) 0.160(18) Uiso 1 1 d DG U . . .
C416 C 2.1875(16) -0.0954(13) -0.4479(15) 0.17(2) Uiso 1 1 d G U . . .
H41E H 2.1792 -0.1350 -0.4365 0.207 Uiso 1 1 calc R U . . .
C417 C 2.2344(14) -0.0705(15) -0.4352(12) 0.162(19) Uiso 1 1 d G U . . .
H41F H 2.2582 -0.0929 -0.4151 0.194 Uiso 1 1 calc R U . . .
C418 C 2.3452(14) -0.0577(13) -0.3263(11) 0.047(8) Uiso 1 1 d . . . . .
C419 C 2.3429(9) -0.0966(7) -0.2774(6) 0.051(8) Uiso 1 1 d G U . . .
C420 C 2.3866(7) -0.0923(7) -0.2503(7) 0.054(8) Uiso 1 1 d G U . . .
H42G H 2.4171 -0.0652 -0.2633 0.065 Uiso 1 1 calc R U . . .
C421 C 2.3857(7) -0.1278(8) -0.2040(7) 0.054(8) Uiso 1 1 d G U . . .
H42H H 2.4156 -0.1248 -0.1855 0.065 Uiso 1 1 calc R U . . .
N404 N 2.3411(8) -0.1675(7) -0.1849(5) 0.048(6) Uani 1 1 d G U . . .
C422 C 2.2973(7) -0.1717(7) -0.2120(6) 0.043(7) Uiso 1 1 d G U . . .
H42I H 2.2668 -0.1989 -0.1989 0.051 Uiso 1 1 calc R U . . .
C423 C 2.2983(7) -0.1363(8) -0.2582(6) 0.053(8) Uiso 1 1 d G U . . .
H42J H 2.2684 -0.1392 -0.2768 0.064 Uiso 1 1 calc R U . . .
C424 C 2.7623(12) 0.1776(18) -0.3626(16) 0.101(14) Uiso 1 1 d D . . . .
H42A H 2.7930 0.1888 -0.3458 0.121 Uiso 1 1 calc R U . . .
H42B H 2.7598 0.1354 -0.3568 0.121 Uiso 1 1 calc R U . . .
C425 C 2.776(2) 0.200(2) -0.4169(18) 0.120(17) Uiso 1 1 d . . . . .
H42C H 2.8184 0.1937 -0.4286 0.144 Uiso 1 1 calc R U . . .
H42D H 2.7697 0.2413 -0.4222 0.144 Uiso 1 1 calc R U . . .
C426 C 2.7410(10) 0.1715(17) -0.4518(15) 0.089(13) Uiso 1 1 d D . . . .
H42E H 2.7407 0.1293 -0.4423 0.106 Uiso 1 1 calc R U . . .
H42F H 2.7600 0.1816 -0.4877 0.106 Uiso 1 1 calc R U . . .
C431 C 2.6884(12) 0.1817(12) -0.2680(6) 0.063(9) Uiso 1 1 d DG U . . .
C432 C 2.7074(12) 0.1275(11) -0.2506(10) 0.124(15) Uiso 1 1 d G U . . .
H43A H 2.7250 0.1040 -0.2739 0.149 Uiso 1 1 calc R U . . .
C433 C 2.7005(14) 0.1075(11) -0.1989(12) 0.134(16) Uiso 1 1 d G U . . .
H43B H 2.7135 0.0704 -0.1870 0.161 Uiso 1 1 calc R U . . .
C434 C 2.6747(15) 0.1419(16) -0.1648(6) 0.135(17) Uiso 1 1 d G U . . .
H43C H 2.6700 0.1282 -0.1295 0.162 Uiso 1 1 calc R U . . .
C435 C 2.6558(14) 0.1961(15) -0.1823(9) 0.143(17) Uiso 1 1 d G U . . .
H43D H 2.6381 0.2196 -0.1589 0.171 Uiso 1 1 calc R U . . .
C436 C 2.6626(12) 0.2161(10) -0.2339(11) 0.112(14) Uiso 1 1 d G U . . .
H43E H 2.6497 0.2532 -0.2459 0.135 Uiso 1 1 calc R U . . .
C441 C 2.6983(11) 0.2838(6) -0.3387(9) 0.056(8) Uiso 1 1 d DG U . . .
C442 C 2.7517(9) 0.3076(11) -0.3381(11) 0.113(14) Uiso 1 1 d G U . . .
H44A H 2.7845 0.2839 -0.3361 0.136 Uiso 1 1 calc R U . . .
C443 C 2.7569(11) 0.3662(12) -0.3406(12) 0.125(15) Uiso 1 1 d G U . . .
H44B H 2.7934 0.3826 -0.3402 0.150 Uiso 1 1 calc R U . . .
C444 C 2.7089(15) 0.4010(7) -0.3436(12) 0.125(15) Uiso 1 1 d G U . . .
H44C H 2.7125 0.4411 -0.3453 0.150 Uiso 1 1 calc R U . . .
C445 C 2.6556(12) 0.3771(10) -0.3441(11) 0.113(14) Uiso 1 1 d G U . . .
H44D H 2.6227 0.4009 -0.3462 0.136 Uiso 1 1 calc R U . . .
C446 C 2.6503(9) 0.3185(10) -0.3417(10) 0.083(11) Uiso 1 1 d G U . . .
H44E H 2.6139 0.3022 -0.3420 0.099 Uiso 1 1 calc R U . . .
C451 C 2.6339(12) 0.1630(12) -0.4867(9) 0.163(19) Uiso 1 1 d DG U . . .
C452 C 2.6098(12) 0.1996(9) -0.5225(10) 0.063(9) Uiso 1 1 d G U . . .
H45A H 2.6119 0.2397 -0.5242 0.076 Uiso 1 1 calc R U . . .
C453 C 2.5824(12) 0.1773(12) -0.5560(9) 0.144(17) Uiso 1 1 d G U . . .
H45B H 2.5659 0.2023 -0.5805 0.173 Uiso 1 1 calc R U . . .
C454 C 2.5793(12) 0.1185(13) -0.5536(10) 0.109(14) Uiso 1 1 d G U . . .
H45C H 2.5606 0.1033 -0.5764 0.130 Uiso 1 1 calc R U . . .
C455 C 2.6034(12) 0.0820(9) -0.5177(11) 0.112(14) Uiso 1 1 d G U . . .
H45D H 2.6013 0.0418 -0.5160 0.135 Uiso 1 1 calc R U . . .
C456 C 2.6308(12) 0.1043(11) -0.4842(9) 0.091(12) Uiso 1 1 d G U . . .
H45E H 2.6473 0.0793 -0.4597 0.109 Uiso 1 1 calc R U . . .
C461 C 2.6721(14) 0.2747(7) -0.4707(11) 0.085(11) Uiso 1 1 d DG U . . .
C462 C 2.7180(11) 0.2980(11) -0.5080(11) 0.117(14) Uiso 1 1 d G U . . .
H46A H 2.7480 0.2741 -0.5209 0.140 Uiso 1 1 calc R U . . .
C463 C 2.7201(12) 0.3564(12) -0.5263(10) 0.100(13) Uiso 1 1 d G U . . .
H46B H 2.7515 0.3724 -0.5518 0.120 Uiso 1 1 calc R U . . .
C464 C 2.6762(15) 0.3914(7) -0.5073(12) 0.143(17) Uiso 1 1 d G U . . .
H46C H 2.6776 0.4313 -0.5199 0.172 Uiso 1 1 calc R U . . .
C465 C 2.6302(13) 0.3680(12) -0.4700(12) 0.123(15) Uiso 1 1 d G U . . .
H46D H 2.6002 0.3919 -0.4571 0.148 Uiso 1 1 calc R U . . .
C466 C 2.6282(11) 0.3096(13) -0.4517(10) 0.118(15) Uiso 1 1 d G U . . .
H46E H 2.5968 0.2937 -0.4262 0.142 Uiso 1 1 calc R U . . .
S1 S 2.5214(3) -0.0770(3) -0.1406(3) 0.0402(18) Uani 1 1 d D U . . .
O11 O 2.5668(7) -0.1065(6) -0.1183(7) 0.056(5) Uani 1 1 d D U . . .
O12 O 2.4667(5) -0.1077(7) -0.1299(6) 0.054(5) Uani 1 1 d D U . . .
O13 O 2.5147(8) -0.0181(5) -0.1324(7) 0.053(5) Uani 1 1 d D U . . .
C1T C 2.5483(7) -0.0713(6) -0.2083(4) 0.061(5) Uani 1 1 d D U . . .
F11 F 2.5109(7) -0.0429(7) -0.2336(6) 0.074(5) Uani 1 1 d D U . . .
F12 F 2.5575(9) -0.1217(6) -0.2224(6) 0.093(6) Uani 1 1 d D U . . .
F13 F 2.5977(7) -0.0423(7) -0.2199(6) 0.076(5) Uani 1 1 d D U . . .
S2 S 2.1709(4) -0.2872(3) -0.1173(4) 0.073(3) Uani 1 1 d D U . . .
O21 O 2.2139(10) -0.3135(8) -0.0901(9) 0.089(6) Uani 1 1 d D U . . .
O22 O 2.1663(12) -0.3110(8) -0.1621(7) 0.102(7) Uani 1 1 d D U . . .
O23 O 2.1699(12) -0.2254(5) -0.1245(9) 0.095(7) Uani 1 1 d D U . . .
C2T C 2.1057(7) -0.3119(8) -0.0720(7) 0.102(6) Uani 1 1 d D U . . .
F21 F 2.0599(10) -0.2917(10) -0.0903(11) 0.134(7) Uani 1 1 d D U . . .
F22 F 2.1026(11) -0.3682(7) -0.0637(10) 0.132(8) Uani 1 1 d D U . . .
F23 F 2.1047(12) -0.2944(10) -0.0286(9) 0.141(7) Uani 1 1 d D U . . .
S3 S 2.1332(4) -0.1102(3) -0.2971(4) 0.064(2) Uani 1 1 d D U . . .
O31 O 2.1951(5) -0.1101(8) -0.3153(8) 0.071(5) Uani 1 1 d D U . . .
O32 O 2.1064(9) -0.0548(6) -0.2961(11) 0.097(7) Uani 1 1 d D U . . .
O33 O 2.1001(8) -0.1529(8) -0.3122(9) 0.086(6) Uani 1 1 d D U . . .
C3T C 2.1321(8) -0.1374(7) -0.2306(5) 0.077(6) Uani 1 1 d D U . . .
F31 F 2.0778(7) -0.1408(10) -0.2067(10) 0.127(7) Uani 1 1 d D U . . .
F32 F 2.1571(9) -0.1877(7) -0.2243(7) 0.087(5) Uani 1 1 d D U . . .
F33 F 2.1611(8) -0.1014(7) -0.2123(8) 0.086(5) Uani 1 1 d D U . . .
S4 S 1.9017(7) 0.2222(5) -0.2737(7) 0.165(6) Uani 1 1 d D U . . .
O41 O 1.9092(16) 0.1746(11) -0.2347(12) 0.194(10) Uani 1 1 d D U . . .
O42 O 1.8668(13) 0.2109(12) -0.3092(11) 0.163(9) Uani 1 1 d D U . . .
O43 O 1.9537(11) 0.2565(14) -0.2954(12) 0.191(10) Uani 1 1 d D U . . .
C4T C 1.8573(11) 0.2704(11) -0.2382(9) 0.173(9) Uani 1 1 d D U . . .
F41 F 1.8037(12) 0.2558(15) -0.2159(13) 0.219(10) Uani 1 1 d D U . . .
F42 F 1.8840(15) 0.2819(14) -0.2027(12) 0.200(10) Uani 1 1 d D U . . .
F43 F 1.8536(14) 0.3194(11) -0.2685(12) 0.181(9) Uani 1 1 d D U . . .
S5 S 2.4047(4) 0.4929(4) -0.1589(5) 0.104(4) Uani 1 1 d D U . . .
O51 O 2.3677(7) 0.4528(8) -0.1718(10) 0.119(8) Uani 1 1 d D U . . .
O52 O 2.3908(9) 0.5048(10) -0.1075(6) 0.121(8) Uani 1 1 d D U . . .
O53 O 2.4195(10) 0.5444(7) -0.1968(8) 0.129(8) Uani 1 1 d D U . . .
C5T C 2.4740(6) 0.4571(7) -0.1599(7) 0.127(8) Uani 1 1 d D U . . .
F51 F 2.5116(7) 0.4904(11) -0.1470(11) 0.165(9) Uani 1 1 d D U . . .
F52 F 2.4679(10) 0.4091(8) -0.1267(10) 0.167(9) Uani 1 1 d D U . . .
F53 F 2.4955(9) 0.4459(12) -0.2053(8) 0.174(9) Uani 1 1 d D U . . .
S6 S 2.0695(5) 0.2616(4) -0.1311(5) 0.129(5) Uani 1 1 d D U . . .
O61 O 2.0796(9) 0.2619(9) -0.1856(6) 0.146(8) Uani 1 1 d D U . . .
O62 O 2.0964(8) 0.3062(7) -0.1142(10) 0.136(8) Uani 1 1 d D U . . .
O63 O 2.0704(9) 0.2050(5) -0.1003(8) 0.115(8) Uani 1 1 d D U . . .
C6T C 1.9921(5) 0.2781(6) -0.1186(7) 0.149(8) Uani 1 1 d D U . . .
F61 F 1.9825(8) 0.3253(8) -0.1497(10) 0.181(10) Uani 1 1 d D U . . .
F62 F 1.9625(7) 0.2353(9) -0.1283(11) 0.165(9) Uani 1 1 d D U . . .
F63 F 1.9766(9) 0.2842(10) -0.0707(8) 0.172(8) Uani 1 1 d D U . . .
S7 S 2.3021(6) -0.0099(6) -0.6426(6) 0.124(4) Uani 1 1 d D U . . .
O71 O 2.3431(12) -0.0380(15) -0.6765(13) 0.177(11) Uani 1 1 d D U . . .
O72 O 2.3274(13) 0.0091(18) -0.6034(10) 0.174(10) Uani 1 1 d D U . . .
O73 O 2.2477(10) -0.0406(15) -0.6227(12) 0.152(10) Uani 1 1 d D U . . .
C7T C 2.2866(11) 0.0583(9) -0.6787(8) 0.148(8) Uani 1 1 d D U . . .
F71 F 2.2444(13) 0.0792(15) -0.6480(13) 0.212(11) Uani 1 1 d D U . . .
F72 F 2.2707(12) 0.0380(15) -0.7161(12) 0.177(9) Uani 1 1 d D U . . .
F73 F 2.3356(12) 0.0878(14) -0.6902(11) 0.164(9) Uani 1 1 d D U . . .
S8 S 2.4770(5) 0.3535(5) -0.3565(5) 0.094(3) Uani 1 1 d D U . . .
O81 O 2.5161(9) 0.4011(8) -0.3790(13) 0.130(9) Uani 1 1 d D U . . .
O82 O 2.4196(7) 0.3599(9) -0.3687(10) 0.094(7) Uani 1 1 d D U . . .
O83 O 2.5026(10) 0.2984(7) -0.3611(11) 0.113(8) Uani 1 1 d D U . . .
C8T C 2.4667(9) 0.3572(9) -0.2894(6) 0.104(7) Uani 1 1 d D U . . .
F81 F 2.5142(9) 0.3530(11) -0.2697(11) 0.149(8) Uani 1 1 d D U . . .
F82 F 2.4430(10) 0.4066(9) -0.2819(11) 0.134(7) Uani 1 1 d D U . . .
F83 F 2.4308(9) 0.3169(9) -0.2623(10) 0.128(7) Uani 1 1 d D U . . .


_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 P101 2.259(8) . ?
Pt1 P102 2.232(8) . ?
Pt1 N101 2.067(11) . ?
Pt1 N404 2.116(12) . ?
Pt2 P201 2.239(11) . ?
Pt2 P202 2.309(13) . ?
Pt2 N104 2.041(13) . ?
Pt2 N201 2.126(17) . ?
Pt3 P301 2.272(10) . ?
Pt3 P302 2.251(9) . ?
Pt3 N204 2.089(14) . ?
Pt3 N301 2.104(13) . ?
Pt4 P401 2.242(10) . ?
Pt4 P402 2.219(10) . ?
Pt4 N304 2.098(13) . ?
Pt4 N401 2.071(13) . ?
P101 C124 1.838(17) . ?
P101 C131 1.820(15) . ?
P101 C141 1.828(13) . ?
P102 C126 1.842(16) . ?
P102 C151 1.831(13) . ?
P102 C161 1.842(15) . ?
P201 C224 1.860(19) . ?
P201 C231 1.837(18) . ?
P201 C241 1.841(17) . ?
P202 C226 1.838(18) . ?
P202 C251 1.816(15) . ?
P202 C261 1.871(16) . ?
P301 C324 1.840(17) . ?
P301 C331 1.792(14) . ?
P301 C341 1.848(15) . ?
P302 C326 1.849(17) . ?
P302 C351 1.830(16) . ?
P302 C361 1.820(14) . ?
P401 C424 1.836(18) . ?
P401 C431 1.839(15) . ?
P401 C441 1.824(15) . ?
P402 C426 1.846(18) . ?
P402 C451 1.835(15) . ?
P402 C461 1.841(16) . ?
N102 C107 1.30(2) . ?
N102 C118 1.27(4) . ?
N103 H10E 0.8800 . ?
N103 C108 1.37(3) . ?
N103 C118 1.42(4) . ?
N202 C207 1.33(3) . ?
N202 C218 1.40(5) . ?
N203 H20E 0.8800 . ?
N203 C208 1.38(4) . ?
N203 C218 1.42(5) . ?
N302 C307 1.37(2) . ?
N302 C318 1.38(3) . ?
N303 H30E 0.8800 . ?
N303 C308 1.36(2) . ?
N303 C318 1.30(3) . ?
N402 C407 1.43(3) . ?
N402 C418 1.32(4) . ?
N403 H40E 0.8800 . ?
N403 C408 1.33(3) . ?
N403 C418 1.39(4) . ?
F101 C115 1.328(9) . ?
F201 C215 1.332(10) . ?
F301 C315 1.330(9) . ?
F401 C415 1.334(10) . ?
N101 C101 1.3900 . ?
N101 C105 1.3900 . ?
C101 H10A 0.9500 . ?
C101 C102 1.3900 . ?
C102 H10B 0.9500 . ?
C102 C103 1.3900 . ?
C103 C104 1.3900 . ?
C103 C106 1.561(16) . ?
C104 H10C 0.9500 . ?
C104 C105 1.3900 . ?
C105 H10D 0.9500 . ?
C106 C107 1.3900 . ?
C106 C111 1.3900 . ?
C107 C108 1.3900 . ?
C108 C109 1.3900 . ?
C109 C110 1.3900 . ?
C109 C112 1.548(17) . ?
C110 H11A 0.9500 . ?
C110 C111 1.3900 . ?
C111 H11B 0.9500 . ?
C112 C113 1.3900 . ?
C112 C117 1.3900 . ?
C113 H11C 0.9500 . ?
C113 C114 1.3900 . ?
C114 H11D 0.9500 . ?
C114 C115 1.3900 . ?
C115 C116 1.3900 . ?
C116 H11E 0.9500 . ?
C116 C117 1.3900 . ?
C117 H11F 0.9500 . ?
C118 C119 1.50(4) . ?
C119 C120 1.3900 . ?
C119 C123 1.3900 . ?
C120 H12G 0.9500 . ?
C120 C121 1.3900 . ?
C121 H12H 0.9500 . ?
C121 N104 1.3900 . ?
N104 C122 1.3900 . ?
C122 H12I 0.9500 . ?
C122 C123 1.3900 . ?
C123 H12J 0.9500 . ?
C124 H12A 0.9900 . ?
C124 H12B 0.9900 . ?
C124 C125 1.56(4) . ?
C125 H12C 0.9900 . ?
C125 H12D 0.9900 . ?
C125 C126 1.47(4) . ?
C126 H12E 0.9900 . ?
C126 H12F 0.9900 . ?
C131 C132 1.3900 . ?
C131 C136 1.3900 . ?
C132 H13A 0.9500 . ?
C132 C133 1.3900 . ?
C133 H13B 0.9500 . ?
C133 C134 1.3900 . ?
C134 H13C 0.9500 . ?
C134 C135 1.3900 . ?
C135 H13D 0.9500 . ?
C135 C136 1.3900 . ?
C136 H13E 0.9500 . ?
C141 C142 1.3900 . ?
C141 C146 1.3900 . ?
C142 H14A 0.9500 . ?
C142 C143 1.3900 . ?
C143 H14B 0.9500 . ?
C143 C144 1.3900 . ?
C144 H14C 0.9500 . ?
C144 C145 1.3900 . ?
C145 H14D 0.9500 . ?
C145 C146 1.3900 . ?
C146 H14E 0.9500 . ?
C151 C152 1.3900 . ?
C151 C156 1.3900 . ?
C152 H15A 0.9500 . ?
C152 C153 1.3900 . ?
C153 H15B 0.9500 . ?
C153 C154 1.3900 . ?
C154 H15C 0.9500 . ?
C154 C155 1.3900 . ?
C155 H15D 0.9500 . ?
C155 C156 1.3900 . ?
C156 H15E 0.9500 . ?
C161 C162 1.3900 . ?
C161 C166 1.3900 . ?
C162 H16A 0.9500 . ?
C162 C163 1.3900 . ?
C163 H16B 0.9500 . ?
C163 C164 1.3900 . ?
C164 H16C 0.9500 . ?
C164 C165 1.3900 . ?
C165 H16D 0.9500 . ?
C165 C166 1.3900 . ?
C166 H16E 0.9500 . ?
N201 C201 1.3900 . ?
N201 C205 1.3900 . ?
C201 H20A 0.9500 . ?
C201 C202 1.3900 . ?
C202 H20B 0.9500 . ?
C202 C203 1.3900 . ?
C203 C204 1.3900 . ?
C203 C206 1.49(3) . ?
C204 H20C 0.9500 . ?
C204 C205 1.3900 . ?
C205 H20D 0.9500 . ?
C206 C207 1.3900 . ?
C206 C211 1.3900 . ?
C207 C208 1.3900 . ?
C208 C209 1.3900 . ?
C209 C210 1.3900 . ?
C209 C212 1.59(3) . ?
C210 H21A 0.9500 . ?
C210 C211 1.3900 . ?
C211 H21B 0.9500 . ?
C212 C213 1.3900 . ?
C212 C217 1.3900 . ?
C213 H21C 0.9500 . ?
C213 C214 1.3900 . ?
C214 H21D 0.9500 . ?
C214 C215 1.3900 . ?
C215 C216 1.3900 . ?
C216 H21E 0.9500 . ?
C216 C217 1.3900 . ?
C217 H21F 0.9500 . ?
C218 C219 1.39(4) . ?
C219 C220 1.3900 . ?
C219 C223 1.3900 . ?
C220 H22G 0.9500 . ?
C220 C221 1.3900 . ?
C221 H22H 0.9500 . ?
C221 N204 1.3900 . ?
N204 C222 1.3900 . ?
C222 H22I 0.9500 . ?
C222 C223 1.3900 . ?
C223 H22J 0.9500 . ?
C224 H22A 0.9900 . ?
C224 H22B 0.9900 . ?
C224 C225 1.44(5) . ?
C225 H22C 0.9900 . ?
C225 H22D 0.9900 . ?
C225 C226 1.48(5) . ?
C226 H22E 0.9900 . ?
C226 H22F 0.9900 . ?
C231 C232 1.3900 . ?
C231 C236 1.3900 . ?
C232 H23A 0.9500 . ?
C232 C233 1.3900 . ?
C233 H23B 0.9500 . ?
C233 C234 1.3900 . ?
C234 H23C 0.9500 . ?
C234 C235 1.3900 . ?
C235 H23D 0.9500 . ?
C235 C236 1.3900 . ?
C236 H23E 0.9500 . ?
C241 C242 1.3900 . ?
C241 C246 1.3900 . ?
C242 H24A 0.9500 . ?
C242 C243 1.3900 . ?
C243 H24B 0.9500 . ?
C243 C244 1.3900 . ?
C244 H24C 0.9500 . ?
C244 C245 1.3900 . ?
C245 H24D 0.9500 . ?
C245 C246 1.3900 . ?
C246 H24E 0.9500 . ?
C251 C252 1.3900 . ?
C251 C256 1.3900 . ?
C252 H25A 0.9500 . ?
C252 C253 1.3900 . ?
C253 H25B 0.9500 . ?
C253 C254 1.3900 . ?
C254 H25C 0.9500 . ?
C254 C255 1.3900 . ?
C255 H25D 0.9500 . ?
C255 C256 1.3900 . ?
C256 H25E 0.9500 . ?
C261 C262 1.3900 . ?
C261 C266 1.3900 . ?
C262 H26A 0.9500 . ?
C262 C264 1.3900 . ?
C264 H26B 0.9500 . ?
C264 C263 1.3900 . ?
C263 H26C 0.9500 . ?
C263 C265 1.3900 . ?
C265 H26D 0.9500 . ?
C265 C266 1.3900 . ?
C266 H26E 0.9500 . ?
N301 C301 1.3900 . ?
N301 C305 1.3900 . ?
C301 H30A 0.9500 . ?
C301 C302 1.3900 . ?
C302 H30B 0.9500 . ?
C302 C303 1.3900 . ?
C303 C304 1.3900 . ?
C303 C306 1.487(17) . ?
C304 H30C 0.9500 . ?
C304 C305 1.3900 . ?
C305 H30D 0.9500 . ?
C306 C307 1.3900 . ?
C306 C311 1.3900 . ?
C307 C308 1.3900 . ?
C308 C309 1.3900 . ?
C309 C310 1.3900 . ?
C309 C312 1.518(15) . ?
C310 H31A 0.9500 . ?
C310 C311 1.3900 . ?
C311 H31B 0.9500 . ?
C312 C313 1.3900 . ?
C312 C317 1.3900 . ?
C313 H31C 0.9500 . ?
C313 C314 1.3900 . ?
C314 H31D 0.9500 . ?
C314 C315 1.3900 . ?
C315 C316 1.3900 . ?
C316 H31E 0.9500 . ?
C316 C317 1.3900 . ?
C317 H31F 0.9500 . ?
C318 C319 1.47(3) . ?
C319 C320 1.3900 . ?
C319 C323 1.3900 . ?
C320 H32G 0.9500 . ?
C320 C321 1.3900 . ?
C321 H32H 0.9500 . ?
C321 N304 1.3900 . ?
N304 C322 1.3900 . ?
C322 H32I 0.9500 . ?
C322 C323 1.3900 . ?
C323 H32J 0.9500 . ?
C324 H32A 0.9900 . ?
C324 H32B 0.9900 . ?
C324 C325 1.50(4) . ?
C325 H32C 0.9900 . ?
C325 H32D 0.9900 . ?
C325 C326 1.41(4) . ?
C326 H32E 0.9900 . ?
C326 H32F 0.9900 . ?
C331 C332 1.3900 . ?
C331 C336 1.3900 . ?
C332 H33A 0.9500 . ?
C332 C333 1.3900 . ?
C333 H33B 0.9500 . ?
C333 C334 1.3900 . ?
C334 H33C 0.9500 . ?
C334 C335 1.3900 . ?
C335 H33D 0.9500 . ?
C335 C336 1.3900 . ?
C336 H33E 0.9500 . ?
C341 C342 1.3900 . ?
C341 C346 1.3900 . ?
C342 H34A 0.9500 . ?
C342 C343 1.3900 . ?
C343 H34B 0.9500 . ?
C343 C344 1.3900 . ?
C344 H34C 0.9500 . ?
C344 C345 1.3900 . ?
C345 H34D 0.9500 . ?
C345 C346 1.3900 . ?
C346 H34E 0.9500 . ?
C351 C352 1.3900 . ?
C351 C356 1.3900 . ?
C352 H35A 0.9500 . ?
C352 C353 1.3900 . ?
C353 H35B 0.9500 . ?
C353 C354 1.3900 . ?
C354 H35C 0.9500 . ?
C354 C355 1.3900 . ?
C355 H35D 0.9500 . ?
C355 C356 1.3900 . ?
C356 H35E 0.9500 . ?
C361 C362 1.3900 . ?
C361 C366 1.3900 . ?
C362 H36A 0.9500 . ?
C362 C363 1.3900 . ?
C363 H36B 0.9500 . ?
C363 C364 1.3900 . ?
C364 H36C 0.9500 . ?
C364 C365 1.3900 . ?
C365 H36D 0.9500 . ?
C365 C366 1.3900 . ?
C366 H36E 0.9500 . ?
N401 C401 1.3900 . ?
N401 C405 1.3900 . ?
C401 H40A 0.9500 . ?
C401 C402 1.3900 . ?
C402 H40B 0.9500 . ?
C402 C403 1.3900 . ?
C403 C404 1.3900 . ?
C403 C406 1.60(2) . ?
C404 H40C 0.9500 . ?
C404 C405 1.3900 . ?
C405 H40D 0.9500 . ?
C406 C407 1.3900 . ?
C406 C411 1.3900 . ?
C407 C408 1.3900 . ?
C408 C409 1.3900 . ?
C409 C410 1.3900 . ?
C409 C412 1.53(3) . ?
C410 H41A 0.9500 . ?
C410 C411 1.3900 . ?
C411 H41B 0.9500 . ?
C412 C413 1.3900 . ?
C412 C417 1.3900 . ?
C413 H41C 0.9500 . ?
C413 C414 1.3900 . ?
C414 H41D 0.9500 . ?
C414 C415 1.3900 . ?
C415 C416 1.3900 . ?
C416 H41E 0.9500 . ?
C416 C417 1.3900 . ?
C417 H41F 0.9500 . ?
C418 C419 1.48(3) . ?
C419 C420 1.3900 . ?
C419 C423 1.3900 . ?
C420 H42G 0.9500 . ?
C420 C421 1.3900 . ?
C421 H42H 0.9500 . ?
C421 N404 1.3900 . ?
N404 C422 1.3900 . ?
C422 H42I 0.9500 . ?
C422 C423 1.3900 . ?
C423 H42J 0.9500 . ?
C424 H42A 0.9900 . ?
C424 H42B 0.9900 . ?
C424 C425 1.46(6) . ?
C425 H42C 0.9900 . ?
C425 H42D 0.9900 . ?
C425 C426 1.61(6) . ?
C426 H42E 0.9900 . ?
C426 H42F 0.9900 . ?
C431 C432 1.3900 . ?
C431 C436 1.3900 . ?
C432 H43A 0.9500 . ?
C432 C433 1.3900 . ?
C433 H43B 0.9500 . ?
C433 C434 1.3900 . ?
C434 H43C 0.9500 . ?
C434 C435 1.3900 . ?
C435 H43D 0.9500 . ?
C435 C436 1.3900 . ?
C436 H43E 0.9500 . ?
C441 C442 1.3900 . ?
C441 C446 1.3900 . ?
C442 H44A 0.9500 . ?
C442 C443 1.3900 . ?
C443 H44B 0.9500 . ?
C443 C444 1.3900 . ?
C444 H44C 0.9500 . ?
C444 C445 1.3900 . ?
C445 H44D 0.9500 . ?
C445 C446 1.3900 . ?
C446 H44E 0.9500 . ?
C451 C452 1.3900 . ?
C451 C456 1.3900 . ?
C452 H45A 0.9500 . ?
C452 C453 1.3900 . ?
C453 H45B 0.9500 . ?
C453 C454 1.3900 . ?
C454 H45C 0.9500 . ?
C454 C455 1.3900 . ?
C455 H45D 0.9500 . ?
C455 C456 1.3900 . ?
C456 H45E 0.9500 . ?
C461 C462 1.3900 . ?
C461 C466 1.3900 . ?
C462 H46A 0.9500 . ?
C462 C463 1.3900 . ?
C463 H46B 0.9500 . ?
C463 C464 1.3900 . ?
C464 H46C 0.9500 . ?
C464 C465 1.3900 . ?
C465 H46D 0.9500 . ?
C465 C466 1.3900 . ?
C466 H46E 0.9500 . ?
S1 O11 1.437(9) . ?
S1 O12 1.449(9) . ?
S1 O13 1.456(9) . ?
S1 C1T 1.821(9) . ?
C1T F11 1.324(10) . ?
C1T F12 1.322(10) . ?
C1T F13 1.320(10) . ?
S2 O21 1.436(9) . ?
S2 O22 1.458(9) . ?
S2 O23 1.447(9) . ?
S2 C2T 1.817(10) . ?
C2T F21 1.317(10) . ?
C2T F22 1.319(10) . ?
C2T F23 1.319(10) . ?
S3 O31 1.447(9) . ?
S3 O32 1.448(9) . ?
S3 O33 1.452(9) . ?
S3 C3T 1.817(10) . ?
C3T F31 1.317(10) . ?
C3T F32 1.319(10) . ?
C3T F33 1.322(10) . ?
S4 O41 1.448(10) . ?
S4 O42 1.443(10) . ?
S4 O43 1.454(10) . ?
S4 C4T 1.813(10) . ?
C4T F41 1.318(10) . ?
C4T F42 1.318(10) . ?
C4T F43 1.320(10) . ?
S5 O51 1.433(9) . ?
S5 O52 1.459(9) . ?
S5 O53 1.463(9) . ?
S5 C5T 1.816(9) . ?
C5T F51 1.333(10) . ?
C5T F52 1.322(10) . ?
C5T F53 1.319(10) . ?
S6 O61 1.466(9) . ?
S6 O62 1.429(9) . ?
S6 O63 1.461(9) . ?
S6 C6T 1.832(9) . ?
C6T F61 1.328(10) . ?
C6T F62 1.337(10) . ?
C6T F63 1.322(10) . ?
S7 O71 1.442(10) . ?
S7 O72 1.457(10) . ?
S7 O73 1.450(10) . ?
S7 C7T 1.817(10) . ?
C7T F71 1.319(10) . ?
C7T F72 1.319(10) . ?
C7T F73 1.319(10) . ?
S8 O81 1.449(10) . ?
S8 O82 1.448(9) . ?
S8 O83 1.445(9) . ?
S8 C8T 1.821(10) . ?
C8T F81 1.322(10) . ?
C8T F82 1.321(10) . ?
C8T F83 1.318(10) . ?

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
P102 Pt1 P101 91.3(3) . . ?
N101 Pt1 P101 176.9(5) . . ?
N101 Pt1 P102 91.5(5) . . ?
N101 Pt1 N404 86.5(6) . . ?
N404 Pt1 P101 90.7(5) . . ?
N404 Pt1 P102 177.9(5) . . ?
P201 Pt2 P202 91.1(6) . . ?
N104 Pt2 P201 177.0(6) . . ?
N104 Pt2 P202 91.1(6) . . ?
N104 Pt2 N201 84.6(8) . . ?
N201 Pt2 P201 93.1(8) . . ?
N201 Pt2 P202 175.5(7) . . ?
P302 Pt3 P301 91.6(3) . . ?
N204 Pt3 P301 176.8(5) . . ?
N204 Pt3 P302 91.3(6) . . ?
N204 Pt3 N301 85.8(7) . . ?
N301 Pt3 P301 91.4(6) . . ?
N301 Pt3 P302 175.0(6) . . ?
P402 Pt4 P401 89.9(4) . . ?
N304 Pt4 P401 92.1(5) . . ?
N304 Pt4 P402 175.6(6) . . ?
N401 Pt4 P401 174.6(6) . . ?
N401 Pt4 P402 91.3(6) . . ?
N401 Pt4 N304 87.1(7) . . ?
C124 P101 Pt1 113.9(10) . . ?
C131 P101 Pt1 112.9(9) . . ?
C131 P101 C124 100.9(13) . . ?
C131 P101 C141 106.1(12) . . ?
C141 P101 Pt1 116.0(8) . . ?
C141 P101 C124 105.6(12) . . ?
C126 P102 Pt1 115.8(10) . . ?
C126 P102 C161 105.4(13) . . ?
C151 P102 Pt1 115.3(8) . . ?
C151 P102 C126 104.0(12) . . ?
C151 P102 C161 106.8(11) . . ?
C161 P102 Pt1 108.8(9) . . ?
C224 P201 Pt2 111.5(16) . . ?
C231 P201 Pt2 112.8(16) . . ?
C231 P201 C224 109(2) . . ?
C231 P201 C241 107(2) . . ?
C241 P201 Pt2 115.0(13) . . ?
C241 P201 C224 101(2) . . ?
C226 P202 Pt2 119.3(15) . . ?
C226 P202 C261 100.8(17) . . ?
C251 P202 Pt2 116.3(11) . . ?
C251 P202 C226 104.5(17) . . ?
C251 P202 C261 102.5(14) . . ?
C261 P202 Pt2 111.2(11) . . ?
C324 P301 Pt3 112.8(12) . . ?
C324 P301 C341 104.9(13) . . ?
C331 P301 Pt3 113.4(9) . . ?
C331 P301 C324 107.7(14) . . ?
C331 P301 C341 105.0(12) . . ?
C341 P301 Pt3 112.3(9) . . ?
C326 P302 Pt3 110.2(12) . . ?
C351 P302 Pt3 112.7(11) . . ?
C351 P302 C326 104.1(16) . . ?
C361 P302 Pt3 116.5(9) . . ?
C361 P302 C326 103.7(14) . . ?
C361 P302 C351 108.5(15) . . ?
C424 P401 Pt4 113.2(15) . . ?
C424 P401 C431 101.5(17) . . ?
C431 P401 Pt4 112.5(9) . . ?
C441 P401 Pt4 116.8(9) . . ?
C441 P401 C424 110.8(17) . . ?
C441 P401 C431 100.3(13) . . ?
C426 P402 Pt4 113.3(14) . . ?
C451 P402 Pt4 111.2(11) . . ?
C451 P402 C426 102.7(16) . . ?
C451 P402 C461 106.6(14) . . ?
C461 P402 Pt4 116.5(11) . . ?
C461 P402 C426 105.4(17) . . ?
C118 N102 C107 106(2) . . ?
C108 N103 H10E 128.8 . . ?
C108 N103 C118 102(2) . . ?
C118 N103 H10E 128.8 . . ?
C207 N202 C218 109(3) . . ?
C208 N203 H20E 126.5 . . ?
C208 N203 C218 107(3) . . ?
C218 N203 H20E 126.5 . . ?
C307 N302 C318 100(2) . . ?
C308 N303 H30E 126.1 . . ?
C318 N303 H30E 126.1 . . ?
C318 N303 C308 108(2) . . ?
C418 N402 C407 100(2) . . ?
C408 N403 H40E 127.5 . . ?
C408 N403 C418 105(2) . . ?
C418 N403 H40E 127.5 . . ?
C101 N101 Pt1 120.5(9) . . ?
C101 N101 C105 120.0 . . ?
C105 N101 Pt1 119.5(9) . . ?
N101 C101 H10A 120.0 . . ?
C102 C101 N101 120.0 . . ?
C102 C101 H10A 120.0 . . ?
C101 C102 H10B 120.0 . . ?
C103 C102 C101 120.0 . . ?
C103 C102 H10B 120.0 . . ?
C102 C103 C104 120.0 . . ?
C102 C103 C106 121.1(12) . . ?
C104 C103 C106 118.8(12) . . ?
C103 C104 H10C 120.0 . . ?
C105 C104 C103 120.0 . . ?
C105 C104 H10C 120.0 . . ?
N101 C105 H10D 120.0 . . ?
C104 C105 N101 120.0 . . ?
C104 C105 H10D 120.0 . . ?
C107 C106 C103 120.4(12) . . ?
C107 C106 C111 120.0 . . ?
C111 C106 C103 119.5(12) . . ?
N102 C107 C106 128.5(15) . . ?
N102 C107 C108 111.5(15) . . ?
C108 C107 C106 120.0 . . ?
N103 C108 C107 106.0(15) . . ?
N103 C108 C109 134.0(15) . . ?
C107 C108 C109 120.0 . . ?
C108 C109 C112 121.9(13) . . ?
C110 C109 C108 120.0 . . ?
C110 C109 C112 118.1(13) . . ?
C109 C110 H11A 120.0 . . ?
C109 C110 C111 120.0 . . ?
C111 C110 H11A 120.0 . . ?
C106 C111 H11B 120.0 . . ?
C110 C111 C106 120.0 . . ?
C110 C111 H11B 120.0 . . ?
C113 C112 C109 123.9(14) . . ?
C113 C112 C117 120.0 . . ?
C117 C112 C109 116.1(14) . . ?
C112 C113 H11C 120.0 . . ?
C112 C113 C114 120.0 . . ?
C114 C113 H11C 120.0 . . ?
C113 C114 H11D 120.0 . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H11D 120.0 . . ?
F101 C115 C114 117(2) . . ?
F101 C115 C116 123(2) . . ?
C116 C115 C114 120.0 . . ?
C115 C116 H11E 120.0 . . ?
C115 C116 C117 120.0 . . ?
C117 C116 H11E 120.0 . . ?
C112 C117 H11F 120.0 . . ?
C116 C117 C112 120.0 . . ?
C116 C117 H11F 120.0 . . ?
N102 C118 N103 114(3) . . ?
N102 C118 C119 124(3) . . ?
N103 C118 C119 121(3) . . ?
C120 C119 C118 117.9(18) . . ?
C120 C119 C123 120.0 . . ?
C123 C119 C118 122.1(18) . . ?
C119 C120 H12G 120.0 . . ?
C121 C120 C119 120.0 . . ?
C121 C120 H12G 120.0 . . ?
C120 C121 H12H 120.0 . . ?
N104 C121 C120 120.0 . . ?
N104 C121 H12H 120.0 . . ?
C121 N104 Pt2 113.3(10) . . ?
C122 N104 Pt2 126.7(10) . . ?
C122 N104 C121 120.0 . . ?
N104 C122 H12I 120.0 . . ?
N104 C122 C123 120.0 . . ?
C123 C122 H12I 120.0 . . ?
C119 C123 H12J 120.0 . . ?
C122 C123 C119 120.0 . . ?
C122 C123 H12J 120.0 . . ?
P101 C124 H12A 109.3 . . ?
P101 C124 H12B 109.3 . . ?
H12A C124 H12B 108.0 . . ?
C125 C124 P101 111.4(18) . . ?
C125 C124 H12A 109.3 . . ?
C125 C124 H12B 109.3 . . ?
C124 C125 H12C 108.2 . . ?
C124 C125 H12D 108.2 . . ?
H12C C125 H12D 107.3 . . ?
C126 C125 C124 116(2) . . ?
C126 C125 H12C 108.2 . . ?
C126 C125 H12D 108.2 . . ?
P102 C126 H12E 108.7 . . ?
P102 C126 H12F 108.7 . . ?
C125 C126 P102 114.1(19) . . ?
C125 C126 H12E 108.7 . . ?
C125 C126 H12F 108.7 . . ?
H12E C126 H12F 107.6 . . ?
C132 C131 P101 117.5(19) . . ?
C132 C131 C136 120.0 . . ?
C136 C131 P101 122.4(19) . . ?
C131 C132 H13A 120.0 . . ?
C133 C132 C131 120.0 . . ?
C133 C132 H13A 120.0 . . ?
C132 C133 H13B 120.0 . . ?
C132 C133 C134 120.0 . . ?
C134 C133 H13B 120.0 . . ?
C133 C134 H13C 120.0 . . ?
C135 C134 C133 120.0 . . ?
C135 C134 H13C 120.0 . . ?
C134 C135 H13D 120.0 . . ?
C136 C135 C134 120.0 . . ?
C136 C135 H13D 120.0 . . ?
C131 C136 H13E 120.0 . . ?
C135 C136 C131 120.0 . . ?
C135 C136 H13E 120.0 . . ?
C142 C141 P101 118.7(12) . . ?
C142 C141 C146 120.0 . . ?
C146 C141 P101 121.2(12) . . ?
C141 C142 H14A 120.0 . . ?
C141 C142 C143 120.0 . . ?
C143 C142 H14A 120.0 . . ?
C142 C143 H14B 120.0 . . ?
C144 C143 C142 120.0 . . ?
C144 C143 H14B 120.0 . . ?
C143 C144 H14C 120.0 . . ?
C143 C144 C145 120.0 . . ?
C145 C144 H14C 120.0 . . ?
C144 C145 H14D 120.0 . . ?
C146 C145 C144 120.0 . . ?
C146 C145 H14D 120.0 . . ?
C141 C146 H14E 120.0 . . ?
C145 C146 C141 120.0 . . ?
C145 C146 H14E 120.0 . . ?
C152 C151 P102 122.8(12) . . ?
C152 C151 C156 120.0 . . ?
C156 C151 P102 117.2(12) . . ?
C151 C152 H15A 120.0 . . ?
C153 C152 C151 120.0 . . ?
C153 C152 H15A 120.0 . . ?
C152 C153 H15B 120.0 . . ?
C152 C153 C154 120.0 . . ?
C154 C153 H15B 120.0 . . ?
C153 C154 H15C 120.0 . . ?
C153 C154 C155 120.0 . . ?
C155 C154 H15C 120.0 . . ?
C154 C155 H15D 120.0 . . ?
C156 C155 C154 120.0 . . ?
C156 C155 H15D 120.0 . . ?
C151 C156 H15E 120.0 . . ?
C155 C156 C151 120.0 . . ?
C155 C156 H15E 120.0 . . ?
C162 C161 P102 123.8(15) . . ?
C162 C161 C166 120.0 . . ?
C166 C161 P102 115.1(15) . . ?
C161 C162 H16A 120.0 . . ?
C163 C162 C161 120.0 . . ?
C163 C162 H16A 120.0 . . ?
C162 C163 H16B 120.0 . . ?
C164 C163 C162 120.0 . . ?
C164 C163 H16B 120.0 . . ?
C163 C164 H16C 120.0 . . ?
C163 C164 C165 120.0 . . ?
C165 C164 H16C 120.0 . . ?
C164 C165 H16D 120.0 . . ?
C166 C165 C164 120.0 . . ?
C166 C165 H16D 120.0 . . ?
C161 C166 H16E 120.0 . . ?
C165 C166 C161 120.0 . . ?
C165 C166 H16E 120.0 . . ?
C201 N201 Pt2 118.3(13) . . ?
C201 N201 C205 120.0 . . ?
C205 N201 Pt2 121.7(13) . . ?
N201 C201 H20A 120.0 . . ?
N201 C201 C202 120.0 . . ?
C202 C201 H20A 120.0 . . ?
C201 C202 H20B 120.0 . . ?
C201 C202 C203 120.0 . . ?
C203 C202 H20B 120.0 . . ?
C202 C203 C206 123(2) . . ?
C204 C203 C202 120.0 . . ?
C204 C203 C206 117(2) . . ?
C203 C204 H20C 120.0 . . ?
C203 C204 C205 120.0 . . ?
C205 C204 H20C 120.0 . . ?
N201 C205 H20D 120.0 . . ?
C204 C205 N201 120.0 . . ?
C204 C205 H20D 120.0 . . ?
C207 C206 C203 118(2) . . ?
C207 C206 C211 120.0 . . ?
C211 C206 C203 122(2) . . ?
N202 C207 C206 131(3) . . ?
N202 C207 C208 109(3) . . ?
C206 C207 C208 120.0 . . ?
N203 C208 C207 108(3) . . ?
N203 C208 C209 132(3) . . ?
C207 C208 C209 120.0 . . ?
C208 C209 C212 126(3) . . ?
C210 C209 C208 120.0 . . ?
C210 C209 C212 114(3) . . ?
C209 C210 H21A 120.0 . . ?
C211 C210 C209 120.0 . . ?
C211 C210 H21A 120.0 . . ?
C206 C211 H21B 120.0 . . ?
C210 C211 C206 120.0 . . ?
C210 C211 H21B 120.0 . . ?
C213 C212 C209 114(3) . . ?
C213 C212 C217 120.0 . . ?
C217 C212 C209 126(3) . . ?
C212 C213 H21C 120.0 . . ?
C212 C213 C214 120.0 . . ?
C214 C213 H21C 120.0 . . ?
C213 C214 H21D 120.0 . . ?
C215 C214 C213 120.0 . . ?
C215 C214 H21D 120.0 . . ?
F201 C215 C214 128(3) . . ?
F201 C215 C216 112(3) . . ?
C214 C215 C216 120.0 . . ?
C215 C216 H21E 120.0 . . ?
C215 C216 C217 120.0 . . ?
C217 C216 H21E 120.0 . . ?
C212 C217 H21F 120.0 . . ?
C216 C217 C212 120.0 . . ?
C216 C217 H21F 120.0 . . ?
N202 C218 N203 106(3) . . ?
C219 C218 N202 122(3) . . ?
C219 C218 N203 131(4) . . ?
C218 C219 C220 122(2) . . ?
C218 C219 C223 117(2) . . ?
C220 C219 C223 120.0 . . ?
C219 C220 H22G 120.0 . . ?
C219 C220 C221 120.0 . . ?
C221 C220 H22G 120.0 . . ?
C220 C221 H22H 120.0 . . ?
C220 C221 N204 120.0 . . ?
N204 C221 H22H 120.0 . . ?
C221 N204 Pt3 111.8(10) . . ?
C222 N204 Pt3 128.0(10) . . ?
C222 N204 C221 120.0 . . ?
N204 C222 H22I 120.0 . . ?
N204 C222 C223 120.0 . . ?
C223 C222 H22I 120.0 . . ?
C219 C223 H22J 120.0 . . ?
C222 C223 C219 120.0 . . ?
C222 C223 H22J 120.0 . . ?
P201 C224 H22A 108.0 . . ?
P201 C224 H22B 108.0 . . ?
H22A C224 H22B 107.3 . . ?
C225 C224 P201 117(3) . . ?
C225 C224 H22A 108.0 . . ?
C225 C224 H22B 108.0 . . ?
C224 C225 H22C 103.8 . . ?
C224 C225 H22D 103.8 . . ?
C224 C225 C226 134(4) . . ?
H22C C225 H22D 105.4 . . ?
C226 C225 H22C 103.8 . . ?
C226 C225 H22D 103.8 . . ?
P202 C226 H22E 111.5 . . ?
P202 C226 H22F 111.5 . . ?
C225 C226 P202 101(3) . . ?
C225 C226 H22E 111.5 . . ?
C225 C226 H22F 111.5 . . ?
H22E C226 H22F 109.3 . . ?
C232 C231 P201 112(4) . . ?
C232 C231 C236 120.0 . . ?
C236 C231 P201 127(4) . . ?
C231 C232 H23A 120.0 . . ?
C233 C232 C231 120.0 . . ?
C233 C232 H23A 120.0 . . ?
C232 C233 H23B 120.0 . . ?
C232 C233 C234 120.0 . . ?
C234 C233 H23B 120.0 . . ?
C233 C234 H23C 120.0 . . ?
C233 C234 C235 120.0 . . ?
C235 C234 H23C 120.0 . . ?
C234 C235 H23D 120.0 . . ?
C236 C235 C234 120.0 . . ?
C236 C235 H23D 120.0 . . ?
C231 C236 H23E 120.0 . . ?
C235 C236 C231 120.0 . . ?
C235 C236 H23E 120.0 . . ?
C242 C241 P201 120(3) . . ?
C242 C241 C246 120.0 . . ?
C246 C241 P201 119(3) . . ?
C241 C242 H24A 120.0 . . ?
C241 C242 C243 120.0 . . ?
C243 C242 H24A 120.0 . . ?
C242 C243 H24B 120.0 . . ?
C244 C243 C242 120.0 . . ?
C244 C243 H24B 120.0 . . ?
C243 C244 H24C 120.0 . . ?
C245 C244 C243 120.0 . . ?
C245 C244 H24C 120.0 . . ?
C244 C245 H24D 120.0 . . ?
C244 C245 C246 120.0 . . ?
C246 C245 H24D 120.0 . . ?
C241 C246 H24E 120.0 . . ?
C245 C246 C241 120.0 . . ?
C245 C246 H24E 120.0 . . ?
C252 C251 P202 116.5(17) . . ?
C252 C251 C256 120.0 . . ?
C256 C251 P202 123.4(17) . . ?
C251 C252 H25A 120.0 . . ?
C251 C252 C253 120.0 . . ?
C253 C252 H25A 120.0 . . ?
C252 C253 H25B 120.0 . . ?
C254 C253 C252 120.0 . . ?
C254 C253 H25B 120.0 . . ?
C253 C254 H25C 120.0 . . ?
C255 C254 C253 120.0 . . ?
C255 C254 H25C 120.0 . . ?
C254 C255 H25D 120.0 . . ?
C256 C255 C254 120.0 . . ?
C256 C255 H25D 120.0 . . ?
C251 C256 H25E 120.0 . . ?
C255 C256 C251 120.0 . . ?
C255 C256 H25E 120.0 . . ?
C262 C261 P202 121(2) . . ?
C262 C261 C266 120.0 . . ?
C266 C261 P202 119(2) . . ?
C261 C262 H26A 120.0 . . ?
C261 C262 C264 120.0 . . ?
C264 C262 H26A 120.0 . . ?
C262 C264 H26B 120.0 . . ?
C262 C264 C263 120.0 . . ?
C263 C264 H26B 120.0 . . ?
C264 C263 H26C 120.0 . . ?
C265 C263 C264 120.0 . . ?
C265 C263 H26C 120.0 . . ?
C263 C265 H26D 120.0 . . ?
C263 C265 C266 120.0 . . ?
C266 C265 H26D 120.0 . . ?
C261 C266 H26E 120.0 . . ?
C265 C266 C261 120.0 . . ?
C265 C266 H26E 120.0 . . ?
C301 N301 Pt3 117.0(9) . . ?
C301 N301 C305 120.0 . . ?
C305 N301 Pt3 122.7(9) . . ?
N301 C301 H30A 120.0 . . ?
N301 C301 C302 120.0 . . ?
C302 C301 H30A 120.0 . . ?
C301 C302 H30B 120.0 . . ?
C303 C302 C301 120.0 . . ?
C303 C302 H30B 120.0 . . ?
C302 C303 C304 120.0 . . ?
C302 C303 C306 120.5(14) . . ?
C304 C303 C306 119.5(14) . . ?
C303 C304 H30C 120.0 . . ?
C303 C304 C305 120.0 . . ?
C305 C304 H30C 120.0 . . ?
N301 C305 H30D 120.0 . . ?
C304 C305 N301 120.0 . . ?
C304 C305 H30D 120.0 . . ?
C307 C306 C303 120.5(13) . . ?
C307 C306 C311 120.0 . . ?
C311 C306 C303 119.2(13) . . ?
N302 C307 C306 127.1(15) . . ?
N302 C307 C308 112.7(15) . . ?
C306 C307 C308 120.0 . . ?
N303 C308 C307 104.2(15) . . ?
N303 C308 C309 135.7(15) . . ?
C307 C308 C309 120.0 . . ?
C308 C309 C310 120.0 . . ?
C308 C309 C312 123.5(12) . . ?
C310 C309 C312 116.2(12) . . ?
C309 C310 H31A 120.0 . . ?
C311 C310 C309 120.0 . . ?
C311 C310 H31A 120.0 . . ?
C306 C311 H31B 120.0 . . ?
C310 C311 C306 120.0 . . ?
C310 C311 H31B 120.0 . . ?
C313 C312 C309 120.7(12) . . ?
C313 C312 C317 120.0 . . ?
C317 C312 C309 119.2(12) . . ?
C312 C313 H31C 120.0 . . ?
C314 C313 C312 120.0 . . ?
C314 C313 H31C 120.0 . . ?
C313 C314 H31D 120.0 . . ?
C313 C314 C315 120.0 . . ?
C315 C314 H31D 120.0 . . ?
F301 C315 C314 121.7(14) . . ?
F301 C315 C316 118.3(14) . . ?
C316 C315 C314 120.0 . . ?
C315 C316 H31E 120.0 . . ?
C315 C316 C317 120.0 . . ?
C317 C316 H31E 120.0 . . ?
C312 C317 H31F 120.0 . . ?
C316 C317 C312 120.0 . . ?
C316 C317 H31F 120.0 . . ?
N302 C318 C319 117(2) . . ?
N303 C318 N302 115(2) . . ?
N303 C318 C319 128(2) . . ?
C320 C319 C318 116.5(16) . . ?
C320 C319 C323 120.0 . . ?
C323 C319 C318 123.4(16) . . ?
C319 C320 H32G 120.0 . . ?
C319 C320 C321 120.0 . . ?
C321 C320 H32G 120.0 . . ?
C320 C321 H32H 120.0 . . ?
N304 C321 C320 120.0 . . ?
N304 C321 H32H 120.0 . . ?
C321 N304 Pt4 118.6(9) . . ?
C322 N304 Pt4 121.4(9) . . ?
C322 N304 C321 120.0 . . ?
N304 C322 H32I 120.0 . . ?
N304 C322 C323 120.0 . . ?
C323 C322 H32I 120.0 . . ?
C319 C323 H32J 120.0 . . ?
C322 C323 C319 120.0 . . ?
C322 C323 H32J 120.0 . . ?
P301 C324 H32A 109.7 . . ?
P301 C324 H32B 109.7 . . ?
H32A C324 H32B 108.2 . . ?
C325 C324 P301 110(2) . . ?
C325 C324 H32A 109.7 . . ?
C325 C324 H32B 109.7 . . ?
C324 C325 H32C 108.3 . . ?
C324 C325 H32D 108.3 . . ?
H32C C325 H32D 107.4 . . ?
C326 C325 C324 116(3) . . ?
C326 C325 H32C 108.3 . . ?
C326 C325 H32D 108.3 . . ?
P302 C326 H32E 107.4 . . ?
P302 C326 H32F 107.4 . . ?
C325 C326 P302 120(2) . . ?
C325 C326 H32E 107.4 . . ?
C325 C326 H32F 107.4 . . ?
H32E C326 H32F 106.9 . . ?
C332 C331 P301 119.0(14) . . ?
C332 C331 C336 120.0 . . ?
C336 C331 P301 121.0(14) . . ?
C331 C332 H33A 120.0 . . ?
C331 C332 C333 120.0 . . ?
C333 C332 H33A 120.0 . . ?
C332 C333 H33B 120.0 . . ?
C334 C333 C332 120.0 . . ?
C334 C333 H33B 120.0 . . ?
C333 C334 H33C 120.0 . . ?
C335 C334 C333 120.0 . . ?
C335 C334 H33C 120.0 . . ?
C334 C335 H33D 120.0 . . ?
C334 C335 C336 120.0 . . ?
C336 C335 H33D 120.0 . . ?
C331 C336 H33E 120.0 . . ?
C335 C336 C331 120.0 . . ?
C335 C336 H33E 120.0 . . ?
C342 C341 P301 119.2(15) . . ?
C342 C341 C346 120.0 . . ?
C346 C341 P301 120.8(15) . . ?
C341 C342 H34A 120.0 . . ?
C341 C342 C343 120.0 . . ?
C343 C342 H34A 120.0 . . ?
C342 C343 H34B 120.0 . . ?
C342 C343 C344 120.0 . . ?
C344 C343 H34B 120.0 . . ?
C343 C344 H34C 120.0 . . ?
C345 C344 C343 120.0 . . ?
C345 C344 H34C 120.0 . . ?
C344 C345 H34D 120.0 . . ?
C346 C345 C344 120.0 . . ?
C346 C345 H34D 120.0 . . ?
C341 C346 H34E 120.0 . . ?
C345 C346 C341 120.0 . . ?
C345 C346 H34E 120.0 . . ?
C352 C351 P302 126(2) . . ?
C352 C351 C356 120.0 . . ?
C356 C351 P302 114(2) . . ?
C351 C352 H35A 120.0 . . ?
C351 C352 C353 120.0 . . ?
C353 C352 H35A 120.0 . . ?
C352 C353 H35B 120.0 . . ?
C354 C353 C352 120.0 . . ?
C354 C353 H35B 120.0 . . ?
C353 C354 H35C 120.0 . . ?
C353 C354 C355 120.0 . . ?
C355 C354 H35C 120.0 . . ?
C354 C355 H35D 120.0 . . ?
C356 C355 C354 120.0 . . ?
C356 C355 H35D 120.0 . . ?
C351 C356 H35E 120.0 . . ?
C355 C356 C351 120.0 . . ?
C355 C356 H35E 120.0 . . ?
C362 C361 P302 114.2(14) . . ?
C362 C361 C366 120.0 . . ?
C366 C361 P302 125.7(14) . . ?
C361 C362 H36A 120.0 . . ?
C361 C362 C363 120.0 . . ?
C363 C362 H36A 120.0 . . ?
C362 C363 H36B 120.0 . . ?
C364 C363 C362 120.0 . . ?
C364 C363 H36B 120.0 . . ?
C363 C364 H36C 120.0 . . ?
C363 C364 C365 120.0 . . ?
C365 C364 H36C 120.0 . . ?
C364 C365 H36D 120.0 . . ?
C366 C365 C364 120.0 . . ?
C366 C365 H36D 120.0 . . ?
C361 C366 H36E 120.0 . . ?
C365 C366 C361 120.0 . . ?
C365 C366 H36E 120.0 . . ?
C401 N401 Pt4 116.9(10) . . ?
C401 N401 C405 120.0 . . ?
C405 N401 Pt4 122.1(10) . . ?
N401 C401 H40A 120.0 . . ?
C402 C401 N401 120.0 . . ?
C402 C401 H40A 120.0 . . ?
C401 C402 H40B 120.0 . . ?
C401 C402 C403 120.0 . . ?
C403 C402 H40B 120.0 . . ?
C402 C403 C406 117.9(15) . . ?
C404 C403 C402 120.0 . . ?
C404 C403 C406 121.4(15) . . ?
C403 C404 H40C 120.0 . . ?
C405 C404 C403 120.0 . . ?
C405 C404 H40C 120.0 . . ?
N401 C405 H40D 120.0 . . ?
C404 C405 N401 120.0 . . ?
C404 C405 H40D 120.0 . . ?
C407 C406 C403 119.5(16) . . ?
C407 C406 C411 120.0 . . ?
C411 C406 C403 119.6(16) . . ?
C406 C407 N402 128.2(18) . . ?
C408 C407 N402 111.7(18) . . ?
C408 C407 C406 120.0 . . ?
N403 C408 C407 107.0(18) . . ?
N403 C408 C409 133.0(18) . . ?
C407 C408 C409 120.0 . . ?
C408 C409 C412 123(2) . . ?
C410 C409 C408 120.0 . . ?
C410 C409 C412 116.5(19) . . ?
C409 C410 H41A 120.0 . . ?
C409 C410 C411 120.0 . . ?
C411 C410 H41A 120.0 . . ?
C406 C411 H41B 120.0 . . ?
C410 C411 C406 120.0 . . ?
C410 C411 H41B 120.0 . . ?
C413 C412 C409 123(3) . . ?
C413 C412 C417 120.0 . . ?
C417 C412 C409 117(3) . . ?
C412 C413 H41C 120.0 . . ?
C412 C413 C414 120.0 . . ?
C414 C413 H41C 120.0 . . ?
C413 C414 H41D 120.0 . . ?
C413 C414 C415 120.0 . . ?
C415 C414 H41D 120.0 . . ?
F401 C415 C414 109(4) . . ?
F401 C415 C416 131(4) . . ?
C416 C415 C414 120.0 . . ?
C415 C416 H41E 120.0 . . ?
C415 C416 C417 120.0 . . ?
C417 C416 H41E 120.0 . . ?
C412 C417 H41F 120.0 . . ?
C416 C417 C412 120.0 . . ?
C416 C417 H41F 120.0 . . ?
N402 C418 N403 117(3) . . ?
N402 C418 C419 118(3) . . ?
N403 C418 C419 126(3) . . ?
C420 C419 C418 118.3(18) . . ?
C420 C419 C423 120.0 . . ?
C423 C419 C418 121.7(18) . . ?
C419 C420 H42G 120.0 . . ?
C419 C420 C421 120.0 . . ?
C421 C420 H42G 120.0 . . ?
C420 C421 H42H 120.0 . . ?
C420 C421 N404 120.0 . . ?
N404 C421 H42H 120.0 . . ?
C421 N404 Pt1 117.4(9) . . ?
C422 N404 Pt1 122.5(9) . . ?
C422 N404 C421 120.0 . . ?
N404 C422 H42I 120.0 . . ?
N404 C422 C423 120.0 . . ?
C423 C422 H42I 120.0 . . ?
C419 C423 H42J 120.0 . . ?
C422 C423 C419 120.0 . . ?
C422 C423 H42J 120.0 . . ?
P401 C424 H42A 109.8 . . ?
P401 C424 H42B 109.8 . . ?
H42A C424 H42B 108.3 . . ?
C425 C424 P401 109(3) . . ?
C425 C424 H42A 109.8 . . ?
C425 C424 H42B 109.8 . . ?
C424 C425 H42C 108.3 . . ?
C424 C425 H42D 108.3 . . ?
C424 C425 C426 116(4) . . ?
H42C C425 H42D 107.4 . . ?
C426 C425 H42C 108.3 . . ?
C426 C425 H42D 108.3 . . ?
P402 C426 H42E 109.8 . . ?
P402 C426 H42F 109.8 . . ?
C425 C426 P402 109(3) . . ?
C425 C426 H42E 109.8 . . ?
C425 C426 H42F 109.8 . . ?
H42E C426 H42F 108.2 . . ?
C432 C431 P401 120.5(18) . . ?
C432 C431 C436 120.0 . . ?
C436 C431 P401 119.3(19) . . ?
C431 C432 H43A 120.0 . . ?
C433 C432 C431 120.0 . . ?
C433 C432 H43A 120.0 . . ?
C432 C433 H43B 120.0 . . ?
C434 C433 C432 120.0 . . ?
C434 C433 H43B 120.0 . . ?
C433 C434 H43C 120.0 . . ?
C433 C434 C435 120.0 . . ?
C435 C434 H43C 120.0 . . ?
C434 C435 H43D 120.0 . . ?
C436 C435 C434 120.0 . . ?
C436 C435 H43D 120.0 . . ?
C431 C436 H43E 120.0 . . ?
C435 C436 C431 120.0 . . ?
C435 C436 H43E 120.0 . . ?
C442 C441 P401 119.3(16) . . ?
C442 C441 C446 120.0 . . ?
C446 C441 P401 120.7(16) . . ?
C441 C442 H44A 120.0 . . ?
C441 C442 C443 120.0 . . ?
C443 C442 H44A 120.0 . . ?
C442 C443 H44B 120.0 . . ?
C442 C443 C444 120.0 . . ?
C444 C443 H44B 120.0 . . ?
C443 C444 H44C 120.0 . . ?
C445 C444 C443 120.0 . . ?
C445 C444 H44C 120.0 . . ?
C444 C445 H44D 120.0 . . ?
C444 C445 C446 120.0 . . ?
C446 C445 H44D 120.0 . . ?
C441 C446 H44E 120.0 . . ?
C445 C446 C441 120.0 . . ?
C445 C446 H44E 120.0 . . ?
C452 C451 P402 115.3(18) . . ?
C452 C451 C456 120.0 . . ?
C456 C451 P402 124.6(18) . . ?
C451 C452 H45A 120.0 . . ?
C453 C452 C451 120.0 . . ?
C453 C452 H45A 120.0 . . ?
C452 C453 H45B 120.0 . . ?
C454 C453 C452 120.0 . . ?
C454 C453 H45B 120.0 . . ?
C453 C454 H45C 120.0 . . ?
C453 C454 C455 120.0 . . ?
C455 C454 H45C 120.0 . . ?
C454 C455 H45D 120.0 . . ?
C454 C455 C456 120.0 . . ?
C456 C455 H45D 120.0 . . ?
C451 C456 H45E 120.0 . . ?
C455 C456 C451 120.0 . . ?
C455 C456 H45E 120.0 . . ?
C462 C461 P402 123(2) . . ?
C462 C461 C466 120.0 . . ?
C466 C461 P402 117(2) . . ?
C461 C462 H46A 120.0 . . ?
C461 C462 C463 120.0 . . ?
C463 C462 H46A 120.0 . . ?
C462 C463 H46B 120.0 . . ?
C464 C463 C462 120.0 . . ?
C464 C463 H46B 120.0 . . ?
C463 C464 H46C 120.0 . . ?
C463 C464 C465 120.0 . . ?
C465 C464 H46C 120.0 . . ?
C464 C465 H46D 120.0 . . ?
C466 C465 C464 120.0 . . ?
C466 C465 H46D 120.0 . . ?
C461 C466 H46E 120.0 . . ?
C465 C466 C461 120.0 . . ?
C465 C466 H46E 120.0 . . ?
O11 S1 O12 114.9(9) . . ?
O11 S1 O13 113.4(8) . . ?
O11 S1 C1T 103.7(10) . . ?
O12 S1 O13 112.6(9) . . ?
O12 S1 C1T 106.4(9) . . ?
O13 S1 C1T 104.6(9) . . ?
F11 C1T S1 109.9(12) . . ?
F12 C1T S1 112.6(12) . . ?
F12 C1T F11 109.0(11) . . ?
F13 C1T S1 108.4(11) . . ?
F13 C1T F11 108.3(11) . . ?
F13 C1T F12 108.6(11) . . ?
O21 S2 O22 114.5(10) . . ?
O21 S2 O23 115.2(10) . . ?
O21 S2 C2T 99.7(15) . . ?
O22 S2 C2T 104.6(14) . . ?
O23 S2 O22 114.5(10) . . ?
O23 S2 C2T 106.2(14) . . ?
F21 C2T S2 109.2(17) . . ?
F21 C2T F22 108.5(14) . . ?
F21 C2T F23 108.7(14) . . ?
F22 C2T S2 110.4(17) . . ?
F22 C2T F23 108.8(13) . . ?
F23 C2T S2 111.2(18) . . ?
O31 S3 O32 116.3(10) . . ?
O31 S3 O33 115.9(10) . . ?
O31 S3 C3T 98.9(12) . . ?
O32 S3 O33 115.9(10) . . ?
O32 S3 C3T 102.8(13) . . ?
O33 S3 C3T 103.2(13) . . ?
F31 C3T S3 108.4(16) . . ?
F31 C3T F32 110.6(13) . . ?
F31 C3T F33 109.5(12) . . ?
F32 C3T S3 111.3(14) . . ?
F32 C3T F33 108.2(12) . . ?
F33 C3T S3 108.8(13) . . ?
O41 S4 O43 114.6(12) . . ?
O41 S4 C4T 103(2) . . ?
O42 S4 O41 115.8(11) . . ?
O42 S4 O43 115.6(13) . . ?
O42 S4 C4T 103.5(18) . . ?
O43 S4 C4T 101.9(19) . . ?
F41 C4T S4 120(3) . . ?
F41 C4T F42 106.5(16) . . ?
F41 C4T F43 105.8(16) . . ?
F42 C4T S4 109(2) . . ?
F42 C4T F43 106.1(16) . . ?
F43 C4T S4 108.6(18) . . ?
O51 S5 O52 116.5(10) . . ?
O51 S5 O53 115.1(10) . . ?
O51 S5 C5T 104.8(7) . . ?
O52 S5 O53 113.0(9) . . ?
O52 S5 C5T 102.4(7) . . ?
O53 S5 C5T 102.7(7) . . ?
F51 C5T S5 109.7(9) . . ?
F52 C5T S5 110.1(9) . . ?
F52 C5T F51 107.8(11) . . ?
F53 C5T S5 111.1(9) . . ?
F53 C5T F51 108.4(11) . . ?
F53 C5T F52 109.6(12) . . ?
O61 S6 C6T 101.0(7) . . ?
O62 S6 O61 117.1(10) . . ?
O62 S6 O63 115.4(9) . . ?
O62 S6 C6T 104.0(7) . . ?
O63 S6 O61 114.4(9) . . ?
O63 S6 C6T 101.5(7) . . ?
F61 C6T S6 109.1(9) . . ?
F61 C6T F62 108.0(11) . . ?
F62 C6T S6 108.6(9) . . ?
F63 C6T S6 108.8(9) . . ?
F63 C6T F61 111.6(12) . . ?
F63 C6T F62 110.7(11) . . ?
O71 S7 O72 113.2(13) . . ?
O71 S7 O73 114.6(14) . . ?
O71 S7 C7T 106(2) . . ?
O72 S7 C7T 101(2) . . ?
O73 S7 O72 112.7(14) . . ?
O73 S7 C7T 108(2) . . ?
F71 C7T S7 104(2) . . ?
F71 C7T F72 115.4(14) . . ?
F72 C7T S7 97(2) . . ?
F73 C7T S7 106(2) . . ?
F73 C7T F71 115.3(14) . . ?
F73 C7T F72 116.0(14) . . ?
O81 S8 C8T 102.3(18) . . ?
O82 S8 O81 114.6(11) . . ?
O82 S8 C8T 105.1(14) . . ?
O83 S8 O81 113.7(11) . . ?
O83 S8 O82 114.3(11) . . ?
O83 S8 C8T 105.2(15) . . ?
F81 C8T S8 116(2) . . ?
F82 C8T S8 109.0(18) . . ?
F82 C8T F81 106.8(14) . . ?
F83 C8T S8 111.1(18) . . ?
F83 C8T F81 106.7(14) . . ?
F83 C8T F82 106.9(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane'
