#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:49:56 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290851 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/09/1570980.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1570980
loop_
_publ_author_name
'Khistiaeva, Viktoria V.'
'Buss, Stefan'
'Eskelinen, Toni'
'Hirva, Pipsa'
'Kinnunen, Niko'
'Friedel, Joshua'
'Kletsch, Lukas'
'Klein, Axel'
'Strassert, Cristian A.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on
 aggregation and luminescence.
;
_journal_issue                   11
_journal_name_full               'Chemical science'
_journal_page_first              4005
_journal_page_last               4018
_journal_paper_doi               10.1039/d3sc06941a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C66 H44 N10 Pt4, 2(C32 H12 B F24)'
_chemical_formula_sum            'C130 H68 B2 F48 N10 Pt4'
_chemical_formula_weight         3483.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-07-30 deposited with the CCDC.	2024-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.157(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   37.877(4)
_cell_length_b                   19.7175(19)
_cell_length_c                   16.623(2)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.42
_cell_volume                     12136(2)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2018 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2018 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            83879
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.929
_diffrn_reflns_theta_min         2.119
_exptl_absorpt_coefficient_mu    4.727
_exptl_absorpt_correction_T_max  0.566
_exptl_absorpt_correction_T_min  0.322
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.907
_exptl_crystal_description       block
_exptl_crystal_F_000             6688
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.252
_exptl_crystal_size_min          0.136
_refine_diff_density_max         2.322
_refine_diff_density_min         -2.925
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.284
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     974
_refine_ls_number_reflns         15218
_refine_ls_number_restraints     213
_refine_ls_restrained_S_all      1.292
_refine_ls_R_factor_all          0.0897
_refine_ls_R_factor_gt           0.0719
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+304.5408P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.1514
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12425
_reflns_number_total             15218
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc06941a3.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1570980--1570983.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1570980
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.322
_shelx_estimated_absorpt_t_max   0.566
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C101 C 0.8052(2) 0.4975(4) 0.5266(5) 0.0298(16) Uani 1 1 d . . . . .
C102 C 0.7675(2) 0.4990(4) 0.5074(5) 0.0328(17) Uani 1 1 d . . . . .
H102 H 0.755681 0.541329 0.494603 0.039 Uiso 1 1 calc R U . . .
C103 C 0.7465(2) 0.4414(5) 0.5063(5) 0.0375(18) Uani 1 1 d . . . . .
C104 C 0.7623(3) 0.3784(4) 0.5249(5) 0.039(2) Uani 1 1 d . . . . .
H104 H 0.747965 0.338894 0.525188 0.047 Uiso 1 1 calc R U . . .
C105 C 0.8001(3) 0.3748(4) 0.5433(5) 0.039(2) Uani 1 1 d . . . . .
C106 C 0.8206(2) 0.4330(4) 0.5436(5) 0.0331(17) Uani 1 1 d . . . . .
H106 H 0.846198 0.428996 0.555896 0.040 Uiso 1 1 calc R U . . .
C107 C 0.7066(3) 0.4483(5) 0.4847(7) 0.059(3) Uani 1 1 d D . . . .
C108 C 0.8189(3) 0.3080(5) 0.5622(8) 0.063(3) Uani 1 1 d . . . . .
C109 C 0.8104(2) 0.6297(4) 0.4803(5) 0.0308(16) Uani 1 1 d . . . . .
C110 C 0.8140(2) 0.6966(4) 0.5089(5) 0.0309(16) Uani 1 1 d . . . . .
H110 H 0.827770 0.704891 0.562713 0.037 Uiso 1 1 calc R U . . .
C111 C 0.7984(2) 0.7515(4) 0.4617(5) 0.0338(17) Uani 1 1 d D . . . .
C112 C 0.7776(2) 0.7413(5) 0.3831(5) 0.038(2) Uani 1 1 d . . . . .
H112 H 0.766376 0.778368 0.351129 0.046 Uiso 1 1 calc R U . . .
C113 C 0.7737(2) 0.6757(4) 0.3528(5) 0.0352(18) Uani 1 1 d D . . . .
C114 C 0.7896(2) 0.6210(4) 0.4002(5) 0.0326(17) Uani 1 1 d . . . . .
H114 H 0.786310 0.576591 0.377717 0.039 Uiso 1 1 calc R U . . .
C115 C 0.8043(2) 0.8215(4) 0.4952(5) 0.041(2) Uani 1 1 d D . . . .
C116 C 0.7516(3) 0.6649(5) 0.2679(6) 0.054(3) Uani 1 1 d D . . . .
C117 C 0.8365(3) 0.5895(4) 0.6326(5) 0.039(2) Uani 1 1 d . . . . .
C118 C 0.8687(3) 0.6194(4) 0.6767(6) 0.056(3) Uani 1 1 d . . . . .
H118 H 0.888063 0.623313 0.648885 0.067 Uiso 1 1 calc R U . . .
C119 C 0.8745(4) 0.6427(6) 0.7542(7) 0.078(4) Uani 1 1 d D . . . .
C120 C 0.8448(6) 0.6381(6) 0.7935(8) 0.104(7) Uani 1 1 d . . . . .
H120 H 0.847535 0.653800 0.848468 0.125 Uiso 1 1 calc R U . . .
C121 C 0.8121(3) 0.6113(5) 0.7540(6) 0.067(4) Uani 1 1 d D . . . .
C122 C 0.8083(3) 0.5851(5) 0.6732(5) 0.047(2) Uani 1 1 d . . . . .
H122 H 0.786249 0.564427 0.646849 0.056 Uiso 1 1 calc R U . . .
C124 C 0.7793(3) 0.6054(5) 0.7912(6) 0.079(4) Uani 1 1 d D U . . .
C125 C 0.8680(2) 0.5470(4) 0.5066(5) 0.0364(18) Uani 1 1 d . . . . .
C126 C 0.8712(2) 0.5563(5) 0.4247(6) 0.042(2) Uani 1 1 d . . . . .
H126 H 0.852107 0.577882 0.387145 0.050 Uiso 1 1 calc R U . . .
C127 C 0.9019(3) 0.5346(5) 0.3969(6) 0.049(2) Uani 1 1 d D . . . .
C128 C 0.9305(3) 0.5058(5) 0.4494(9) 0.064(3) Uani 1 1 d . . . . .
H128 H 0.951455 0.492155 0.430654 0.076 Uiso 1 1 calc R U . . .
C129 C 0.9283(3) 0.4972(5) 0.5306(8) 0.058(3) Uani 1 1 d D . . . .
C130 C 0.8977(3) 0.5176(5) 0.5588(7) 0.047(2) Uani 1 1 d . . . . .
H130 H 0.897170 0.511248 0.615219 0.056 Uiso 1 1 calc R U . . .
C131 C 0.9034(3) 0.5468(5) 0.3090(7) 0.070(4) Uani 1 1 d D . . . .
C132 C 0.9590(3) 0.4660(6) 0.5918(8) 0.092(5) Uani 1 1 d D . . . .
B1 B 0.8309(3) 0.5661(5) 0.5361(6) 0.0312(18) Uani 1 1 d . . . . .
F1 F 0.6928(3) 0.4746(9) 0.5459(7) 0.102(7) Uani 0.644(19) 1 d D . P A 1
F2 F 0.6944(2) 0.4953(6) 0.4262(7) 0.071(4) Uani 0.644(19) 1 d D . P A 1
F3 F 0.6874(4) 0.3954(6) 0.4610(14) 0.143(13) Uani 0.644(19) 1 d D . P A 1
F1A F 0.6927(5) 0.3965(12) 0.5257(11) 0.061(7) Uani 0.356(19) 1 d D . P A 2
F2A F 0.6963(5) 0.4177(15) 0.4063(10) 0.088(11) Uani 0.356(19) 1 d D . P A 2
F3A F 0.6927(9) 0.4964(11) 0.487(2) 0.117(12) Uani 0.356(19) 1 d D U P A 2
F4 F 0.7970(2) 0.2569(3) 0.5647(7) 0.110(3) Uani 1 1 d . . . . .
F5 F 0.8394(3) 0.3075(4) 0.6380(6) 0.124(4) Uani 1 1 d . . . . .
F6 F 0.8402(3) 0.2932(4) 0.5143(6) 0.117(4) Uani 1 1 d . . . . .
F7 F 0.8393(3) 0.8349(15) 0.519(2) 0.069(7) Uani 0.57(7) 1 d D . P B 1
F8 F 0.7895(9) 0.8345(14) 0.5576(18) 0.064(7) Uani 0.57(7) 1 d D . P B 1
F9 F 0.7919(12) 0.8695(9) 0.4390(12) 0.085(10) Uani 0.57(7) 1 d D . P B 1
F9A F 0.7767(8) 0.8603(18) 0.468(3) 0.092(14) Uani 0.43(7) 1 d D . P B 2
F8A F 0.8054(16) 0.8207(13) 0.5810(19) 0.071(9) Uani 0.43(7) 1 d D . P B 2
F7A F 0.8337(8) 0.851(2) 0.491(2) 0.066(10) Uani 0.43(7) 1 d D . P B 2
F10 F 0.7199(2) 0.6943(5) 0.2557(5) 0.121(4) Uani 1 1 d D . . . .
F11 F 0.7660(3) 0.6916(6) 0.2124(4) 0.147(5) Uani 1 1 d D . . . .
F12 F 0.7448(3) 0.6035(4) 0.2481(5) 0.150(5) Uani 1 1 d D . . . .
F13 F 0.9403(3) 0.6361(9) 0.7814(10) 0.096(6) Uani 0.528(16) 1 d D . P C 1
F14 F 0.9177(5) 0.6780(10) 0.8748(7) 0.097(7) Uani 0.528(16) 1 d D . P C 1
F15 F 0.9181(4) 0.7343(7) 0.7669(10) 0.094(7) Uani 0.528(16) 1 d D . P C 1
C123 C 0.9116(4) 0.6718(8) 0.7923(9) 0.051(7) Uani 0.528(16) 1 d D U P C 1
F15A F 0.8906(4) 0.7387(6) 0.8292(9) 0.076(6) Uani 0.472(16) 1 d D . P C 2
F13A F 0.9251(4) 0.6716(8) 0.7811(12) 0.083(7) Uani 0.472(16) 1 d D . P C 2
F14A F 0.9062(6) 0.6436(10) 0.8886(10) 0.114(10) Uani 0.472(16) 1 d D . P C 2
C223 C 0.8987(5) 0.6762(8) 0.8202(9) 0.068(8) Uani 0.472(16) 1 d D U P C 2
F16 F 0.7771(3) 0.5473(4) 0.8290(6) 0.142(5) Uani 1 1 d D . . . .
F17 F 0.7776(4) 0.6523(5) 0.8472(6) 0.181(6) Uani 1 1 d D . . . .
F18 F 0.7481(2) 0.6115(6) 0.7391(5) 0.133(4) Uani 1 1 d D . . . .
F19 F 0.8724(2) 0.5397(5) 0.2568(5) 0.096(3) Uani 1 1 d D . . . .
F20 F 0.9153(4) 0.6065(4) 0.2982(5) 0.186(7) Uani 1 1 d D . . . .
F21 F 0.9246(2) 0.5034(5) 0.2812(6) 0.121(4) Uani 1 1 d D . . . .
F22 F 0.9759(3) 0.5103(6) 0.6479(7) 0.152(5) Uani 1 1 d D . . . .
F23 F 0.9846(2) 0.4399(5) 0.5562(7) 0.132(4) Uani 1 1 d D . . . .
F24 F 0.9488(2) 0.4153(4) 0.6346(6) 0.112(4) Uani 1 1 d D . . . .
Pt1 Pt 0.98107(4) 0.93195(9) 0.34412(11) 0.0239(3) Uani 0.488(4) 1 d . . P D 1
C1 C 1.0153(12) 0.999(3) 0.4167(17) 0.029(2) Uani 0.488(4) 1 d . . P D 1
N1 N 1.0374(10) 1.027(2) 0.452(4) 0.029(2) Uani 0.488(4) 1 d . . P D 1
C2 C 1.0031(3) 0.8478(4) 0.4040(6) 0.031(2) Uani 0.488(4) 1 d G . P D 1
C3 C 1.0295(3) 0.8441(5) 0.4759(6) 0.031(2) Uani 0.488(4) 1 d G . P D 1
H3 H 1.039109 0.884493 0.503086 0.037 Uiso 0.488(4) 1 calc R U P D 1
C4 C 1.0418(3) 0.7813(6) 0.5080(6) 0.051(5) Uani 0.488(4) 1 d G U P D 1
H4 H 1.059902 0.778752 0.557100 0.061 Uiso 0.488(4) 1 calc R U P D 1
C5 C 1.0278(4) 0.7222(5) 0.4681(8) 0.047(5) Uani 0.488(4) 1 d G . P D 1
H5 H 1.036202 0.679246 0.490072 0.056 Uiso 0.488(4) 1 calc R U P D 1
C6 C 1.0013(4) 0.7259(4) 0.3962(7) 0.048(5) Uani 0.488(4) 1 d G . P D 1
H6 H 0.991708 0.685479 0.369030 0.058 Uiso 0.488(4) 1 calc R U P D 1
C7 C 0.9890(3) 0.7887(6) 0.3642(6) 0.031(2) Uani 0.488(4) 1 d G . P D 1
C8 C 0.9607(3) 0.7967(5) 0.2909(6) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
C9 C 0.9417(3) 0.7479(4) 0.2387(7) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
H9 H 0.946925 0.701191 0.248738 0.039 Uiso 0.488(4) 1 calc R U P D 1
C10 C 0.9150(3) 0.7675(5) 0.1719(6) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
H10 H 0.901991 0.734163 0.136246 0.039 Uiso 0.488(4) 1 calc R U P D 1
C11 C 0.9073(3) 0.8359(6) 0.1572(6) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
H11 H 0.889039 0.849269 0.111551 0.039 Uiso 0.488(4) 1 calc R U P D 1
C12 C 0.9263(3) 0.8847(4) 0.2094(7) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
N2 N 0.9530(3) 0.8651(4) 0.2762(6) 0.0326(16) Uani 0.488(4) 1 d G U P D 1
C13 C 0.9223(3) 0.9538(4) 0.2031(7) 0.0334(17) Uani 0.488(4) 1 d G U P D 1
C14 C 0.8955(3) 0.9843(5) 0.1442(6) 0.0334(17) Uani 0.488(4) 1 d G . P D 1
H14 H 0.879125 0.957123 0.106333 0.040 Uiso 0.488(4) 1 calc R U P D 1
C15 C 0.8927(3) 1.0546(5) 0.1406(6) 0.0334(17) Uani 0.488(4) 1 d G U P D 1
H15 H 0.874352 1.075420 0.100359 0.040 Uiso 0.488(4) 1 calc R U P D 1
C16 C 0.9166(3) 1.0943(4) 0.1960(7) 0.0334(17) Uani 0.488(4) 1 d G . P D 1
H16 H 0.914652 1.142318 0.193594 0.040 Uiso 0.488(4) 1 calc R U P D 1
C17 C 0.9434(3) 1.0638(5) 0.2550(6) 0.042(4) Uani 0.488(4) 1 d G . P D 1
H17 H 0.959724 1.090921 0.292805 0.051 Uiso 0.488(4) 1 calc R U P D 1
N3 N 0.9462(3) 0.9935(5) 0.2585(6) 0.0334(17) Uani 0.488(4) 1 d G . P D 1
Pt2 Pt 0.92947(3) 0.91209(12) 0.47140(7) 0.0272(3) Uani 0.488(4) 1 d . . P D 1
C18 C 0.9503(5) 0.8222(6) 0.5229(10) 0.049(2) Uani 0.488(4) 1 d G . P D 1
C19 C 0.9792(4) 0.8127(6) 0.5890(9) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H19 H 0.992684 0.850557 0.613914 0.059 Uiso 0.488(4) 1 calc R U P D 1
C20 C 0.9883(3) 0.7477(7) 0.6185(7) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H20 H 1.008046 0.741125 0.663664 0.059 Uiso 0.488(4) 1 calc R U P D 1
C21 C 0.9685(4) 0.6922(5) 0.5820(9) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H21 H 0.974778 0.647790 0.602230 0.059 Uiso 0.488(4) 1 calc R U P D 1
C22 C 0.9397(4) 0.7018(7) 0.5160(10) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H22 H 0.926148 0.663886 0.491047 0.059 Uiso 0.488(4) 1 calc R U P D 1
C23 C 0.9305(4) 0.7668(8) 0.4864(9) 0.049(2) Uani 0.488(4) 1 d G . P D 1
C24 C 0.9006(3) 0.7814(7) 0.4192(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
C25 C 0.8780(3) 0.7355(5) 0.3698(8) 0.044(2) Uani 0.488(4) 1 d G . P D 1
H25 H 0.881006 0.688218 0.379709 0.053 Uiso 0.488(4) 1 calc R U P D 1
C26 C 0.8510(3) 0.7588(6) 0.3057(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
H26 H 0.835535 0.727431 0.271906 0.053 Uiso 0.488(4) 1 calc R U P D 1
C27 C 0.8466(3) 0.8280(7) 0.2911(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
H27 H 0.828101 0.843951 0.247381 0.053 Uiso 0.488(4) 1 calc R U P D 1
C28 C 0.8692(3) 0.8740(5) 0.3406(8) 0.044(2) Uani 0.488(4) 1 d G . P D 1
N4 N 0.8962(3) 0.8507(6) 0.4047(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
C29 C 0.8676(4) 0.9484(5) 0.3401(9) 0.045(2) Uani 0.488(4) 1 d G . P D 1
C30 C 0.8427(3) 0.9875(7) 0.2861(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H30 H 0.824765 0.966102 0.245502 0.054 Uiso 0.488(4) 1 calc R U P D 1
C31 C 0.8441(3) 1.0578(7) 0.2915(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H31 H 0.827126 1.084507 0.254555 0.054 Uiso 0.488(4) 1 calc R U P D 1
C32 C 0.8704(4) 1.0891(5) 0.3509(9) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H32 H 0.871377 1.137124 0.354558 0.054 Uiso 0.488(4) 1 calc R U P D 1
C33 C 0.8953(3) 1.0500(7) 0.4049(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H33 H 0.913267 1.071337 0.445509 0.054 Uiso 0.488(4) 1 calc R U P D 1
N5 N 0.8939(3) 0.9796(7) 0.3995(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
Pt2A Pt 0.97608(4) 0.94876(9) 0.32075(13) 0.0279(3) Uani 0.512(4) 1 d . . P D 2
Pt1A Pt 1.07539(4) 1.06010(12) 0.53367(7) 0.0316(3) Uani 0.512(4) 1 d . . P D 2
C1A C 1.0351(12) 1.018(2) 0.455(4) 0.029(2) Uani 0.512(4) 1 d . U P D 2
N1A N 1.0134(9) 0.992(2) 0.4035(14) 0.029(2) Uani 0.512(4) 1 d . . P D 2
C2A C 0.9024(6) 1.0274(12) 0.4174(14) 0.054(6) Uani 0.512(4) 1 d . . P D 2
C3A C 0.9113(6) 1.0934(9) 0.4389(13) 0.052(5) Uani 0.512(4) 1 d . . P D 2
H3A H 0.931732 1.100807 0.482145 0.063 Uiso 0.512(4) 1 calc R U P D 2
C4A C 0.8927(6) 1.1508(10) 0.4024(15) 0.059(6) Uani 0.512(4) 1 d . . P D 2
H4A H 0.900588 1.195292 0.419215 0.071 Uiso 0.512(4) 1 calc R U P D 2
C5A C 0.8621(7) 1.1399(10) 0.3400(16) 0.063(6) Uani 0.512(4) 1 d . . P D 2
H5A H 0.848160 1.176212 0.312167 0.076 Uiso 0.512(4) 1 calc R U P D 2
C6A C 0.8532(5) 1.0716(8) 0.3214(13) 0.037(4) Uani 0.512(4) 1 d . . P D 2
H6A H 0.831534 1.063225 0.281950 0.045 Uiso 0.512(4) 1 calc R U P D 2
C7A C 0.8721(5) 1.0173(9) 0.3533(11) 0.040(4) Uani 0.512(4) 1 d . . P D 2
C8A C 0.8626(3) 0.9455(4) 0.3323(7) 0.035(4) Uani 0.512(4) 1 d G . P D 2
C9A C 0.8353(3) 0.9196(6) 0.2707(6) 0.051(5) Uani 0.512(4) 1 d G . P D 2
H9A H 0.819620 0.949535 0.235143 0.061 Uiso 0.512(4) 1 calc R U P D 2
C10A C 0.8309(3) 0.8498(6) 0.2612(6) 0.048(5) Uani 0.512(4) 1 d G . P D 2
H10A H 0.812237 0.832147 0.219050 0.057 Uiso 0.512(4) 1 calc R U P D 2
C11A C 0.8538(3) 0.8060(4) 0.3132(8) 0.046(5) Uani 0.512(4) 1 d G . P D 2
H11A H 0.850788 0.758354 0.306688 0.055 Uiso 0.512(4) 1 calc R U P D 2
C12A C 0.8811(3) 0.8319(5) 0.3748(6) 0.039(4) Uani 0.512(4) 1 d G . P D 2
N2A N 0.8855(2) 0.9016(5) 0.3844(5) 0.035(3) Uani 0.512(4) 1 d G . P D 2
C13A C 0.9066(5) 0.7951(9) 0.4376(11) 0.033(4) Uani 0.512(4) 1 d . . P D 2
C14A C 0.9049(6) 0.7283(12) 0.4492(13) 0.055(5) Uani 0.512(4) 1 d . . P D 2
H14A H 0.887024 0.702049 0.414115 0.066 Uiso 0.512(4) 1 calc R U P D 2
C15A C 0.9298(7) 0.6965(10) 0.5139(16) 0.056(6) Uani 0.512(4) 1 d . . P D 2
H15A H 0.929478 0.648828 0.522080 0.067 Uiso 0.512(4) 1 calc R U P D 2
C16A C 0.9538(6) 0.7363(11) 0.5632(13) 0.051(5) Uani 0.512(4) 1 d . . P D 2
H16A H 0.970794 0.716962 0.607452 0.062 Uiso 0.512(4) 1 calc R U P D 2
C17A C 0.9539(5) 0.8072(10) 0.5493(12) 0.039(4) Uani 0.512(4) 1 d . . P D 2
H17A H 0.971357 0.834292 0.584542 0.047 Uiso 0.512(4) 1 calc R U P D 2
N3A N 0.9318(4) 0.8359(7) 0.4924(9) 0.037(3) Uani 0.512(4) 1 d . . P D 2
C18A C 0.9522(3) 1.0366(5) 0.2697(7) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
C19A C 0.9616(3) 1.1027(5) 0.2942(6) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
H19A H 0.981457 1.110914 0.338718 0.043 Uiso 0.512(4) 1 calc R U P D 2
C20A C 0.9421(3) 1.1568(4) 0.2536(6) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
H20A H 0.948516 1.201995 0.270377 0.043 Uiso 0.512(4) 1 calc R U P D 2
C21A C 0.9131(3) 1.1448(4) 0.1885(6) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
H21A H 0.899724 1.181751 0.160783 0.043 Uiso 0.512(4) 1 calc R U P D 2
C22A C 0.9037(3) 1.0786(5) 0.1640(6) 0.0362(16) Uani 0.512(4) 1 d G U P D 2
H22A H 0.883874 1.070426 0.119530 0.043 Uiso 0.512(4) 1 calc R U P D 2
C23A C 0.9232(3) 1.0245(4) 0.2046(7) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
C24A C 0.9153(3) 0.9551(4) 0.1811(7) 0.034(4) Uani 0.512(4) 1 d G . P D 2
C25A C 0.8896(3) 0.9284(5) 0.1168(6) 0.040(4) Uani 0.512(4) 1 d G . P D 2
H25A H 0.874185 0.957814 0.079980 0.048 Uiso 0.512(4) 1 calc R U P D 2
C26A C 0.8864(3) 0.8585(5) 0.1064(6) 0.047(5) Uani 0.512(4) 1 d G . P D 2
H26A H 0.868854 0.840240 0.062408 0.056 Uiso 0.512(4) 1 calc R U P D 2
C27A C 0.9090(3) 0.8154(4) 0.1602(7) 0.038(4) Uani 0.512(4) 1 d G . P D 2
H27A H 0.906845 0.767695 0.153091 0.045 Uiso 0.512(4) 1 calc R U P D 2
C28A C 0.9347(3) 0.8422(4) 0.2245(6) 0.035(4) Uani 0.512(4) 1 d G . P D 2
N4A N 0.9379(2) 0.9120(5) 0.2350(5) 0.031(3) Uani 0.512(4) 1 d G . P D 2
N5A N 0.9846(3) 0.8452(4) 0.3419(7) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
C29A C 0.9606(3) 0.8062(5) 0.2857(6) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
C30A C 0.9617(3) 0.7359(5) 0.2914(7) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H30A H 0.945286 0.709260 0.252978 0.048 Uiso 0.512(4) 1 calc R U P D 2
C31A C 0.9867(3) 0.7046(4) 0.3534(8) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H31A H 0.987437 0.656506 0.357374 0.048 Uiso 0.512(4) 1 calc R U P D 2
C32A C 1.0107(3) 0.7436(5) 0.4097(7) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H32A H 1.027788 0.722145 0.452072 0.048 Uiso 0.512(4) 1 calc R U P D 2
C33A C 1.0096(3) 0.8139(5) 0.4039(6) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H33A H 1.025987 0.840539 0.442374 0.048 Uiso 0.512(4) 1 calc R U P D 2
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C102 C101 C106 115.2(7) . . ?
C102 C101 B1 123.9(7) . . ?
C106 C101 B1 120.7(7) . . ?
C103 C102 C101 122.9(8) . . ?
C102 C103 C104 120.9(8) . . ?
C102 C103 C107 118.7(8) . . ?
C104 C103 C107 120.4(8) . . ?
C103 C104 C105 117.9(8) . . ?
C106 C105 C104 120.4(8) . . ?
C106 C105 C108 118.9(9) . . ?
C104 C105 C108 120.7(8) . . ?
C105 C106 C101 122.7(8) . . ?
F3 C107 F1 105.0(11) . . ?
F3 C107 F2 104.4(10) . . ?
F1 C107 F2 98.6(9) . . ?
F3A C107 F1A 112.7(18) . . ?
F3A C107 F2A 111.0(17) . . ?
F1A C107 F2A 94.5(13) . . ?
F3A C107 C103 123(2) . . ?
F3 C107 C103 118.8(11) . . ?
F1 C107 C103 113.2(9) . . ?
F2 C107 C103 114.4(8) . . ?
F1A C107 C103 106.6(11) . . ?
F2A C107 C103 104.7(11) . . ?
F6 C108 F4 109.3(11) . . ?
F6 C108 F5 105.6(11) . . ?
F4 C108 F5 102.2(11) . . ?
F6 C108 C105 113.8(10) . . ?
F4 C108 C105 113.8(10) . . ?
F5 C108 C105 111.2(9) . . ?
C110 C109 C114 115.6(7) . . ?
C110 C109 B1 121.6(7) . . ?
C114 C109 B1 122.8(7) . . ?
C111 C110 C109 122.8(8) . . ?
C112 C111 C110 120.4(7) . . ?
C112 C111 C115 119.7(8) . . ?
C110 C111 C115 119.9(7) . . ?
C113 C112 C111 118.2(7) . . ?
C112 C113 C114 121.0(7) . . ?
C112 C113 C116 118.1(8) . . ?
C114 C113 C116 120.9(8) . . ?
C113 C114 C109 122.0(7) . . ?
F7A C115 F9A 111.3(17) . . ?
F8 C115 F7 106.7(12) . . ?
F8 C115 F9 105.7(10) . . ?
F7 C115 F9 104.4(11) . . ?
F7A C115 F8A 102.9(17) . . ?
F9A C115 F8A 102.0(14) . . ?
F7A C115 C111 117.6(16) . . ?
F9A C115 C111 111.9(14) . . ?
F8 C115 C111 115.2(11) . . ?
F7 C115 C111 111.0(14) . . ?
F9 C115 C111 113.0(11) . . ?
F8A C115 C111 109.7(12) . . ?
F12 C116 F11 107.4(9) . . ?
F12 C116 F10 104.6(9) . . ?
F11 C116 F10 102.8(9) . . ?
F12 C116 C113 115.1(8) . . ?
F11 C116 C113 112.6(8) . . ?
F10 C116 C113 113.4(8) . . ?
C122 C117 C118 116.4(9) . . ?
C122 C117 B1 120.4(8) . . ?
C118 C117 B1 123.1(9) . . ?
C119 C118 C117 126.2(13) . . ?
C118 C119 C120 115.8(12) . . ?
C118 C119 C223 147.4(15) . . ?
C120 C119 C223 96.8(12) . . ?
C118 C119 C123 118.5(13) . . ?
C120 C119 C123 125.7(11) . . ?
C121 C120 C119 121.7(11) . . ?
C120 C121 C122 119.5(12) . . ?
C120 C121 C124 124.8(11) . . ?
C122 C121 C124 115.7(10) . . ?
C117 C122 C121 120.4(10) . . ?
F18 C124 F16 104.7(10) . . ?
F18 C124 F17 103.2(10) . . ?
F16 C124 F17 104.7(9) . . ?
F18 C124 C121 115.3(8) . . ?
F16 C124 C121 113.9(9) . . ?
F17 C124 C121 113.8(10) . . ?
C130 C125 C126 115.9(9) . . ?
C130 C125 B1 122.9(8) . . ?
C126 C125 B1 121.2(8) . . ?
C125 C126 C127 121.6(9) . . ?
C128 C127 C126 121.2(10) . . ?
C128 C127 C131 120.4(10) . . ?
C126 C127 C131 118.4(10) . . ?
C127 C128 C129 118.3(10) . . ?
C128 C129 C130 121.2(10) . . ?
C128 C129 C132 120.9(10) . . ?
C130 C129 C132 117.9(10) . . ?
C125 C130 C129 121.8(10) . . ?
F20 C131 F19 107.3(10) . . ?
F20 C131 F21 106.6(9) . . ?
F19 C131 F21 103.0(8) . . ?
F20 C131 C127 111.8(9) . . ?
F19 C131 C127 114.7(9) . . ?
F21 C131 C127 112.8(10) . . ?
F24 C132 F22 105.5(11) . . ?
F24 C132 F23 105.4(9) . . ?
F22 C132 F23 106.0(10) . . ?
F24 C132 C129 113.4(10) . . ?
F22 C132 C129 113.1(10) . . ?
F23 C132 C129 112.7(11) . . ?
C125 B1 C117 114.7(7) . . ?
C125 B1 C101 108.1(6) . . ?
C117 B1 C101 106.0(7) . . ?
C125 B1 C109 109.9(7) . . ?
C117 B1 C109 106.5(6) . . ?
C101 B1 C109 111.7(7) . . ?
F13 C123 F15 103.5(12) . . ?
F13 C123 F14 102.5(12) . . ?
F15 C123 F14 103.6(12) . . ?
F13 C123 C119 116.7(12) . . ?
F15 C123 C119 115.3(11) . . ?
F14 C123 C119 113.5(12) . . ?
F15A C223 F14A 113.0(13) . . ?
F15A C223 F13A 110.4(14) . . ?
F14A C223 F13A 110.8(14) . . ?
F15A C223 C119 113.7(13) . . ?
F14A C223 C119 115.7(16) . . ?
F13A C223 C119 91.1(12) . . ?
N2 Pt1 C2 81.1(4) . . ?
N2 Pt1 C1 174.9(11) . . ?
C2 Pt1 C1 95.4(14) . . ?
N2 Pt1 N3 78.8(4) . . ?
C2 Pt1 N3 159.8(4) . . ?
C1 Pt1 N3 104.8(14) . . ?
N2 Pt1 Pt2 88.0(3) . . ?
C2 Pt1 Pt2 79.6(3) . . ?
C1 Pt1 Pt2 95.1(13) . . ?
N3 Pt1 Pt2 97.7(3) . . ?
N1 C1 Pt1 169(3) . . ?
C1 N1 Pt2 168(4) . 5_776 ?
C3 C2 C7 120.0 . . ?
C3 C2 Pt1 127.9(6) . . ?
C7 C2 Pt1 112.1(6) . . ?
C4 C3 C2 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 C8 123.3(8) . . ?
C2 C7 C8 116.7(8) . . ?
C9 C8 N2 120.0 . . ?
C9 C8 C7 129.9(8) . . ?
N2 C8 C7 110.1(8) . . ?
C10 C9 C8 120.0 . . ?
C9 C10 C11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C13 C12 C11 127.2(9) . . ?
C13 C12 N2 112.8(9) . . ?
C11 C12 N2 120.0 . . ?
C12 N2 C8 120.0 . . ?
C12 N2 Pt1 120.1(6) . . ?
C8 N2 Pt1 119.7(6) . . ?
C12 C13 C14 122.4(9) . . ?
C12 C13 N3 117.6(9) . . ?
C14 C13 N3 120.0 . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
N3 C17 C16 120.0 . . ?
C17 N3 C13 120.0 . . ?
C17 N3 Pt1 129.3(6) . . ?
C13 N3 Pt1 110.6(6) . . ?
N4 Pt2 N1 175.7(12) . 5_776 ?
N4 Pt2 C18 81.1(6) . . ?
N1 Pt2 C18 96.8(11) 5_776 . ?
N4 Pt2 N5 78.8(6) . . ?
N1 Pt2 N5 103.1(11) 5_776 . ?
C18 Pt2 N5 159.5(6) . . ?
N4 Pt2 Pt1 96.5(4) . . ?
N1 Pt2 Pt1 87.5(12) 5_776 . ?
C18 Pt2 Pt1 98.5(5) . . ?
N5 Pt2 Pt1 87.4(4) . . ?
C19 C18 C23 120.0 . . ?
C19 C18 Pt2 128.0(8) . . ?
C23 C18 Pt2 111.9(8) . . ?
C18 C19 C20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C21 C22 C23 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 C24 123.7(12) . . ?
C18 C23 C24 116.3(12) . . ?
C25 C24 N4 120.0 . . ?
C25 C24 C23 127.8(11) . . ?
N4 C24 C23 112.2(11) . . ?
C26 C25 C24 120.0 . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C28 120.0 . . ?
C27 C28 N4 120.0 . . ?
C27 C28 C29 129.0(10) . . ?
N4 C28 C29 110.9(10) . . ?
C28 N4 C24 120.0 . . ?
C28 N4 Pt2 121.4(7) . . ?
C24 N4 Pt2 118.5(7) . . ?
C30 C29 N5 120.0 . . ?
C30 C29 C28 125.3(11) . . ?
N5 C29 C28 114.7(11) . . ?
C29 C30 C31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C31 C32 C33 120.0 . . ?
C32 C33 N5 120.0 . . ?
C33 N5 C29 120.0 . . ?
C33 N5 Pt2 126.1(8) . . ?
C29 N5 Pt2 113.8(8) . . ?
N4A Pt2A N1A 175.9(13) . . ?
N4A Pt2A C18A 79.4(4) . . ?
N1A Pt2A C18A 96.5(13) . . ?
N4A Pt2A N5A 79.8(4) . . ?
N1A Pt2A N5A 104.3(13) . . ?
C18A Pt2A N5A 159.2(4) . . ?
N2A Pt1A C1A 177(2) 5_776 . ?
N2A Pt1A N3A 79(2) 5_776 5_776 ?
C1A Pt1A N3A 103.1(12) . 5_776 ?
C2A Pt1A N3A 160.7(8) 5_776 5_776 ?
N1A C1A Pt1A 174(5) . . ?
C1A N1A Pt2A 178(5) . . ?
C3A C2A C7A 117(2) . . ?
C2A C3A C4A 125(2) . . ?
C5A C4A C3A 117.3(18) . . ?
C4A C5A C6A 116(2) . . ?
C7A C6A C5A 127(2) . . ?
C6A C7A C2A 118.2(19) . . ?
C6A C7A C8A 126.0(17) . . ?
C2A C7A C8A 115.6(16) . . ?
C9A C8A N2A 120.0 . . ?
C9A C8A C7A 129.0(10) . . ?
N2A C8A C7A 111.0(10) . . ?
C10A C9A C8A 120.0 . . ?
C11A C10A C9A 120.0 . . ?
C12A C11A C10A 120.0 . . ?
N2A C12A C11A 120.0 . . ?
N2A C12A C13A 111.4(10) . . ?
C11A C12A C13A 128.5(10) . . ?
C12A N2A C8A 120.0 . . ?
C14A C13A N3A 120.8(17) . . ?
C14A C13A C12A 123.3(16) . . ?
N3A C13A C12A 115.5(14) . . ?
C13A C14A C15A 120.1(19) . . ?
C16A C15A C14A 117.4(19) . . ?
C15A C16A C17A 120(2) . . ?
N3A C17A C16A 122.8(18) . . ?
C17A N3A C13A 118.6(15) . . ?
C19A C18A C23A 120.0 . . ?
C19A C18A Pt2A 127.4(6) . . ?
C23A C18A Pt2A 112.6(6) . . ?
C20A C19A C18A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C22A C21A C20A 120.0 . . ?
C21A C22A C23A 120.0 . . ?
C22A C23A C18A 120.0 . . ?
C22A C23A C24A 122.7(8) . . ?
C18A C23A C24A 117.3(8) . . ?
C25A C24A N4A 120.0 . . ?
C25A C24A C23A 130.0(8) . . ?
N4A C24A C23A 110.0(8) . . ?
C26A C25A C24A 120.0 . . ?
C25A C26A C27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
N4A C28A C27A 120.0 . . ?
N4A C28A C29A 111.8(7) . . ?
C27A C28A C29A 128.2(7) . . ?
C28A N4A C24A 120.0 . . ?
C28A N4A Pt2A 119.5(5) . . ?
C24A N4A Pt2A 120.4(5) . . ?
C29A N5A C33A 120.0 . . ?
C29A N5A Pt2A 111.9(6) . . ?
C33A N5A Pt2A 128.1(6) . . ?
N5A C29A C30A 120.0 . . ?
N5A C29A C28A 116.9(8) . . ?
C30A C29A C28A 123.0(8) . . ?
C31A C30A C29A 120.0 . . ?
C30A C31A C32A 120.0 . . ?
C31A C32A C33A 120.0 . . ?
C32A C33A N5A 120.0 . . ?
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
C101 C102 1.399(11) . ?
C101 C106 1.405(11) . ?
C101 B1 1.653(12) . ?
C102 C103 1.383(12) . ?
C103 C104 1.385(12) . ?
C103 C107 1.483(13) . ?
C104 C105 1.400(13) . ?
C105 C106 1.386(11) . ?
C105 C108 1.499(13) . ?
C107 F3A 1.09(2) . ?
C107 F3 1.285(11) . ?
C107 F1 1.344(11) . ?
C107 F2 1.353(11) . ?
C107 F1A 1.39(2) . ?
C107 F2A 1.41(2) . ?
C108 F6 1.281(15) . ?
C108 F4 1.312(13) . ?
C108 F5 1.333(14) . ?
C109 C110 1.398(11) . ?
C109 C114 1.408(11) . ?
C109 B1 1.653(12) . ?
C110 C111 1.394(11) . ?
C111 C112 1.391(12) . ?
C111 C115 1.487(10) . ?
C112 C113 1.386(12) . ?
C113 C114 1.395(11) . ?
C113 C116 1.495(10) . ?
C115 F7A 1.27(2) . ?
C115 F9A 1.30(2) . ?
C115 F8 1.302(11) . ?
C115 F7 1.329(13) . ?
C115 F9 1.343(11) . ?
C115 F8A 1.42(3) . ?
C116 F12 1.267(10) . ?
C116 F11 1.280(10) . ?
C116 F10 1.309(10) . ?
C117 C122 1.382(14) . ?
C117 C118 1.411(13) . ?
C117 B1 1.641(12) . ?
C118 C119 1.342(14) . ?
C119 C120 1.42(2) . ?
C119 C223 1.434(15) . ?
C119 C123 1.528(14) . ?
C120 C121 1.38(2) . ?
C121 C122 1.417(12) . ?
C121 C124 1.503(12) . ?
C124 F18 1.317(11) . ?
C124 F16 1.318(10) . ?
C124 F17 1.325(10) . ?
C125 C130 1.395(13) . ?
C125 C126 1.403(12) . ?
C125 B1 1.628(12) . ?
C126 C127 1.408(13) . ?
C127 C128 1.363(16) . ?
C127 C131 1.494(12) . ?
C128 C129 1.380(17) . ?
C129 C130 1.398(14) . ?
C129 C132 1.506(13) . ?
C131 F20 1.287(10) . ?
C131 F19 1.312(10) . ?
C131 F21 1.323(10) . ?
C132 F24 1.332(11) . ?
C132 F22 1.338(12) . ?
C132 F23 1.338(11) . ?
F13 C123 1.339(14) . ?
F14 C123 1.347(14) . ?
F15 C123 1.340(14) . ?
F15A C223 1.284(13) . ?
F13A C223 1.309(14) . ?
F14A C223 1.285(14) . ?
Pt1 N2 1.908(7) . ?
Pt1 C2 2.022(8) . ?
Pt1 C1 2.05(5) . ?
Pt1 N3 2.110(8) . ?
Pt1 Pt2 3.1925(18) . ?
C1 N1 1.07(4) . ?
N1 Pt2 1.99(6) 5_776 ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C7 C8 1.452(11) . ?
C8 C9 1.3900 . ?
C8 N2 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.372(11) . ?
C12 N2 1.3900 . ?
C13 C14 1.3900 . ?
C13 N3 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 N3 1.3900 . ?
Pt2 N4 1.923(8) . ?
Pt2 C18 2.052(10) . ?
Pt2 N5 2.083(10) . ?
C18 C19 1.3900 . ?
C18 C23 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.444(14) . ?
C24 C25 1.3900 . ?
C24 N4 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 N4 1.3900 . ?
C28 C29 1.469(15) . ?
C29 C30 1.3900 . ?
C29 N5 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C33 N5 1.3900 . ?
Pt2A N4A 1.944(7) . ?
Pt2A N1A 1.95(3) . ?
Pt2A C18A 2.052(8) . ?
Pt2A N5A 2.085(8) . ?
Pt1A N2A 1.94(2) 5_776 ?
Pt1A C1A 1.97(7) . ?
Pt1A C2A 2.01(3) 5_776 ?
Pt1A N3A 2.102(14) 5_776 ?
C1A N1A 1.17(6) . ?
C2A C3A 1.37(3) . ?
C2A C7A 1.41(3) . ?
C3A C4A 1.40(3) . ?
C4A C5A 1.40(3) . ?
C5A C6A 1.41(3) . ?
C6A C7A 1.33(2) . ?
C7A C8A 1.48(2) . ?
C8A C9A 1.3900 . ?
C8A N2A 1.3900 . ?
C9A C10A 1.3900 . ?
C10A C11A 1.3900 . ?
C11A C12A 1.3900 . ?
C12A N2A 1.3900 . ?
C12A C13A 1.46(2) . ?
C13A C14A 1.33(3) . ?
C13A N3A 1.42(2) . ?
C14A C15A 1.42(3) . ?
C15A C16A 1.34(3) . ?
C16A C17A 1.42(3) . ?
C17A N3A 1.26(2) . ?
C18A C19A 1.3900 . ?
C18A C23A 1.3900 . ?
C19A C20A 1.3900 . ?
C20A C21A 1.3900 . ?
C21A C22A 1.3900 . ?
C22A C23A 1.3900 . ?
C23A C24A 1.438(10) . ?
C24A C25A 1.3900 . ?
C24A N4A 1.3900 . ?
C25A C26A 1.3900 . ?
C26A C27A 1.3900 . ?
C27A C28A 1.3900 . ?
C28A N4A 1.3900 . ?
C28A C29A 1.440(10) . ?
N5A C29A 1.3900 . ?
N5A C33A 1.3900 . ?
C29A C30A 1.3900 . ?
C30A C31A 1.3900 . ?
C31A C32A 1.3900 . ?
C32A C33A 1.3900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C106 C101 C102 C103 0.9(12) . . . . ?
B1 C101 C102 C103 -174.7(8) . . . . ?
C101 C102 C103 C104 0.3(13) . . . . ?
C101 C102 C103 C107 -179.7(8) . . . . ?
C102 C103 C104 C105 -1.2(13) . . . . ?
C107 C103 C104 C105 178.8(8) . . . . ?
C103 C104 C105 C106 0.8(13) . . . . ?
C103 C104 C105 C108 -178.7(9) . . . . ?
C104 C105 C106 C101 0.5(13) . . . . ?
C108 C105 C106 C101 -180.0(9) . . . . ?
C102 C101 C106 C105 -1.3(12) . . . . ?
B1 C101 C106 C105 174.4(8) . . . . ?
C102 C103 C107 F3A -18(3) . . . . ?
C104 C103 C107 F3A 162(2) . . . . ?
C102 C103 C107 F3 160.6(14) . . . . ?
C104 C103 C107 F3 -19.4(17) . . . . ?
C102 C103 C107 F1 -75.5(13) . . . . ?
C104 C103 C107 F1 104.5(12) . . . . ?
C102 C103 C107 F2 36.4(14) . . . . ?
C104 C103 C107 F2 -143.6(10) . . . . ?
C102 C103 C107 F1A -150.8(12) . . . . ?
C104 C103 C107 F1A 29.2(15) . . . . ?
C102 C103 C107 F2A 109.8(15) . . . . ?
C104 C103 C107 F2A -70.2(15) . . . . ?
C106 C105 C108 F6 -57.5(14) . . . . ?
C104 C105 C108 F6 122.0(12) . . . . ?
C106 C105 C108 F4 176.4(10) . . . . ?
C104 C105 C108 F4 -4.1(16) . . . . ?
C106 C105 C108 F5 61.6(15) . . . . ?
C104 C105 C108 F5 -118.9(11) . . . . ?
C114 C109 C110 C111 -0.3(12) . . . . ?
B1 C109 C110 C111 177.0(8) . . . . ?
C109 C110 C111 C112 1.1(13) . . . . ?
C109 C110 C111 C115 -178.3(8) . . . . ?
C110 C111 C112 C113 -1.5(13) . . . . ?
C115 C111 C112 C113 177.9(8) . . . . ?
C111 C112 C113 C114 1.1(13) . . . . ?
C111 C112 C113 C116 -179.4(8) . . . . ?
C112 C113 C114 C109 -0.3(13) . . . . ?
C116 C113 C114 C109 -179.8(8) . . . . ?
C110 C109 C114 C113 -0.1(12) . . . . ?
B1 C109 C114 C113 -177.4(8) . . . . ?
C112 C111 C115 F7A -98(3) . . . . ?
C110 C111 C115 F7A 81(3) . . . . ?
C112 C111 C115 F9A 32(3) . . . . ?
C110 C111 C115 F9A -148(3) . . . . ?
C112 C111 C115 F8 113(2) . . . . ?
C110 C111 C115 F8 -67(2) . . . . ?
C112 C111 C115 F7 -125(2) . . . . ?
C110 C111 C115 F7 54(2) . . . . ?
C112 C111 C115 F9 -8(3) . . . . ?
C110 C111 C115 F9 171(2) . . . . ?
C112 C111 C115 F8A 145(3) . . . . ?
C110 C111 C115 F8A -36(3) . . . . ?
C112 C113 C116 F12 -170.6(10) . . . . ?
C114 C113 C116 F12 8.9(14) . . . . ?
C112 C113 C116 F11 66.0(12) . . . . ?
C114 C113 C116 F11 -114.5(11) . . . . ?
C112 C113 C116 F10 -50.2(12) . . . . ?
C114 C113 C116 F10 129.3(10) . . . . ?
C122 C117 C118 C119 1.1(14) . . . . ?
B1 C117 C118 C119 176.5(9) . . . . ?
C117 C118 C119 C120 -1.8(16) . . . . ?
C117 C118 C119 C223 -176.6(17) . . . . ?
C117 C118 C119 C123 178.4(10) . . . . ?
C118 C119 C120 C121 -0.2(17) . . . . ?
C223 C119 C120 C121 177.0(11) . . . . ?
C123 C119 C120 C121 179.6(11) . . . . ?
C119 C120 C121 C122 2.7(16) . . . . ?
C119 C120 C121 C124 -179.3(10) . . . . ?
C118 C117 C122 C121 1.6(12) . . . . ?
B1 C117 C122 C121 -174.0(8) . . . . ?
C120 C121 C122 C117 -3.4(14) . . . . ?
C124 C121 C122 C117 178.4(8) . . . . ?
C120 C121 C124 F18 147.7(11) . . . . ?
C122 C121 C124 F18 -34.3(12) . . . . ?
C120 C121 C124 F16 -91.2(13) . . . . ?
C122 C121 C124 F16 86.9(11) . . . . ?
C120 C121 C124 F17 28.8(14) . . . . ?
C122 C121 C124 F17 -153.2(9) . . . . ?
C130 C125 C126 C127 2.6(13) . . . . ?
B1 C125 C126 C127 -174.4(8) . . . . ?
C125 C126 C127 C128 -2.6(15) . . . . ?
C125 C126 C127 C131 -179.6(8) . . . . ?
C126 C127 C128 C129 1.4(16) . . . . ?
C131 C127 C128 C129 178.3(9) . . . . ?
C127 C128 C129 C130 -0.4(16) . . . . ?
C127 C128 C129 C132 -179.7(10) . . . . ?
C126 C125 C130 C129 -1.6(13) . . . . ?
B1 C125 C130 C129 175.3(9) . . . . ?
C128 C129 C130 C125 0.6(16) . . . . ?
C132 C129 C130 C125 179.9(9) . . . . ?
C128 C127 C131 F20 -92.0(13) . . . . ?
C126 C127 C131 F20 85.0(12) . . . . ?
C128 C127 C131 F19 145.7(10) . . . . ?
C126 C127 C131 F19 -37.3(13) . . . . ?
C128 C127 C131 F21 28.2(14) . . . . ?
C126 C127 C131 F21 -154.8(9) . . . . ?
C128 C129 C132 F24 -129.1(11) . . . . ?
C130 C129 C132 F24 51.6(14) . . . . ?
C128 C129 C132 F22 110.9(13) . . . . ?
C130 C129 C132 F22 -68.4(13) . . . . ?
C128 C129 C132 F23 -9.4(15) . . . . ?
C130 C129 C132 F23 171.3(10) . . . . ?
C130 C125 B1 C117 32.9(11) . . . . ?
C126 C125 B1 C117 -150.4(8) . . . . ?
C130 C125 B1 C101 -85.1(9) . . . . ?
C126 C125 B1 C101 91.6(9) . . . . ?
C130 C125 B1 C109 152.8(8) . . . . ?
C126 C125 B1 C109 -30.5(10) . . . . ?
C122 C117 B1 C125 -158.2(8) . . . . ?
C118 C117 B1 C125 26.6(11) . . . . ?
C122 C117 B1 C101 -39.0(10) . . . . ?
C118 C117 B1 C101 145.8(8) . . . . ?
C122 C117 B1 C109 80.1(9) . . . . ?
C118 C117 B1 C109 -95.1(9) . . . . ?
C102 C101 B1 C125 -148.0(8) . . . . ?
C106 C101 B1 C125 36.6(10) . . . . ?
C102 C101 B1 C117 88.5(9) . . . . ?
C106 C101 B1 C117 -86.9(9) . . . . ?
C102 C101 B1 C109 -27.1(11) . . . . ?
C106 C101 B1 C109 157.5(7) . . . . ?
C110 C109 B1 C125 -98.1(9) . . . . ?
C114 C109 B1 C125 79.1(10) . . . . ?
C110 C109 B1 C117 26.7(11) . . . . ?
C114 C109 B1 C117 -156.2(8) . . . . ?
C110 C109 B1 C101 142.0(8) . . . . ?
C114 C109 B1 C101 -40.9(11) . . . . ?
C118 C119 C123 F13 -45.4(17) . . . . ?
C120 C119 C123 F13 134.8(15) . . . . ?
C118 C119 C123 F15 76.4(15) . . . . ?
C120 C119 C123 F15 -103.3(16) . . . . ?
C118 C119 C123 F14 -164.3(13) . . . . ?
C120 C119 C123 F14 15.9(19) . . . . ?
C118 C119 C223 F15A 103(2) . . . . ?
C120 C119 C223 F15A -72.8(16) . . . . ?
C118 C119 C223 F14A -124(2) . . . . ?
C120 C119 C223 F14A 60.4(16) . . . . ?
C118 C119 C223 F13A -10(2) . . . . ?
C120 C119 C223 F13A 174.2(12) . . . . ?
Pt1 C1 N1 Pt2 -162(10) . . . 5_776 ?
C7 C2 C3 C4 0.0 . . . . ?
Pt1 C2 C3 C4 -179.1(9) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C5 C6 C7 C8 -178.0(12) . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
Pt1 C2 C7 C6 179.3(8) . . . . ?
C3 C2 C7 C8 178.1(11) . . . . ?
Pt1 C2 C7 C8 -2.6(10) . . . . ?
C6 C7 C8 C9 -2.0(14) . . . . ?
C2 C7 C8 C9 179.9(7) . . . . ?
C6 C7 C8 N2 177.2(7) . . . . ?
C2 C7 C8 N2 -0.9(11) . . . . ?
N2 C8 C9 C10 0.0 . . . . ?
C7 C8 C9 C10 179.1(14) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 179.3(13) . . . . ?
C10 C11 C12 N2 0.0 . . . . ?
C13 C12 N2 C8 -179.4(11) . . . . ?
C11 C12 N2 C8 0.0 . . . . ?
C13 C12 N2 Pt1 -3.2(11) . . . . ?
C11 C12 N2 Pt1 176.3(8) . . . . ?
C9 C8 N2 C12 0.0 . . . . ?
C7 C8 N2 C12 -179.2(11) . . . . ?
C9 C8 N2 Pt1 -176.3(8) . . . . ?
C7 C8 N2 Pt1 4.5(10) . . . . ?
C11 C12 C13 C14 5.1(14) . . . . ?
N2 C12 C13 C14 -175.6(7) . . . . ?
C11 C12 C13 N3 -174.9(7) . . . . ?
N2 C12 C13 N3 4.4(12) . . . . ?
C12 C13 C14 C15 180.0(13) . . . . ?
N3 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 N3 0.0 . . . . ?
C16 C17 N3 C13 0.0 . . . . ?
C16 C17 N3 Pt1 -175.5(8) . . . . ?
C12 C13 N3 C17 180.0(12) . . . . ?
C14 C13 N3 C17 0.0 . . . . ?
C12 C13 N3 Pt1 -3.7(10) . . . . ?
C14 C13 N3 Pt1 176.3(7) . . . . ?
C23 C18 C19 C20 0.0 . . . . ?
Pt2 C18 C19 C20 176.4(14) . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C18 0.0 . . . . ?
C21 C22 C23 C24 -178.8(16) . . . . ?
C19 C18 C23 C22 0.0 . . . . ?
Pt2 C18 C23 C22 -177.0(11) . . . . ?
C19 C18 C23 C24 178.9(15) . . . . ?
Pt2 C18 C23 C24 1.9(13) . . . . ?
C22 C23 C24 C25 -5.0(19) . . . . ?
C18 C23 C24 C25 176.1(9) . . . . ?
C22 C23 C24 N4 176.8(9) . . . . ?
C18 C23 C24 N4 -2.0(14) . . . . ?
N4 C24 C25 C26 0.0 . . . . ?
C23 C24 C25 C26 -178.0(16) . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 N4 0.0 . . . . ?
C26 C27 C28 C29 -175.0(14) . . . . ?
C27 C28 N4 C24 0.0 . . . . ?
C29 C28 N4 C24 175.8(12) . . . . ?
C27 C28 N4 Pt2 177.1(9) . . . . ?
C29 C28 N4 Pt2 -7.1(12) . . . . ?
C25 C24 N4 C28 0.0 . . . . ?
C23 C24 N4 C28 178.3(14) . . . . ?
C25 C24 N4 Pt2 -177.2(8) . . . . ?
C23 C24 N4 Pt2 1.2(12) . . . . ?
C27 C28 C29 C30 -2.0(16) . . . . ?
N4 C28 C29 C30 -177.3(8) . . . . ?
C27 C28 C29 N5 178.4(8) . . . . ?
N4 C28 C29 N5 3.0(13) . . . . ?
N5 C29 C30 C31 0.0 . . . . ?
C28 C29 C30 C31 -179.7(15) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 N5 0.0 . . . . ?
C32 C33 N5 C29 0.0 . . . . ?
C32 C33 N5 Pt2 177.8(10) . . . . ?
C30 C29 N5 C33 0.0 . . . . ?
C28 C29 N5 C33 179.7(13) . . . . ?
C30 C29 N5 Pt2 -178.0(9) . . . . ?
C28 C29 N5 Pt2 1.7(11) . . . . ?
C7A C2A C3A C4A 0(3) . . . . ?
Pt1A C2A C3A C4A -177.0(18) 5_776 . . . ?
C2A C3A C4A C5A 2(4) . . . . ?
C3A C4A C5A C6A 0(3) . . . . ?
C4A C5A C6A C7A -4(3) . . . . ?
C5A C6A C7A C2A 6(3) . . . . ?
C5A C6A C7A C8A -179.3(18) . . . . ?
C3A C2A C7A C6A -4(3) . . . . ?
Pt1A C2A C7A C6A 174.0(14) 5_776 . . . ?
C3A C2A C7A C8A -178.8(16) . . . . ?
Pt1A C2A C7A C8A -1(2) 5_776 . . . ?
C6A C7A C8A C9A 8(2) . . . . ?
C2A C7A C8A C9A -177.4(12) . . . . ?
C6A C7A C8A N2A -172.3(16) . . . . ?
C2A C7A C8A N2A 2.5(18) . . . . ?
N2A C8A C9A C10A 0.0 . . . . ?
C7A C8A C9A C10A 179.9(14) . . . . ?
C8A C9A C10A C11A 0.0 . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C10A C11A C12A N2A 0.0 . . . . ?
C10A C11A C12A C13A 176.9(13) . . . . ?
C11A C12A N2A C8A 0.0 . . . . ?
C13A C12A N2A C8A -177.4(11) . . . . ?
C11A C12A N2A Pt1A -177.1(8) . . . 5_776 ?
C13A C12A N2A Pt1A 5.5(12) . . . 5_776 ?
C9A C8A N2A C12A 0.0 . . . . ?
C7A C8A N2A C12A -179.9(12) . . . . ?
C9A C8A N2A Pt1A 177.2(7) . . . 5_776 ?
C7A C8A N2A Pt1A -2.7(10) . . . 5_776 ?
N2A C12A C13A C14A 170.5(16) . . . . ?
C11A C12A C13A C14A -7(2) . . . . ?
N2A C12A C13A N3A -3.2(17) . . . . ?
C11A C12A C13A N3A 179.7(10) . . . . ?
N3A C13A C14A C15A -4(3) . . . . ?
C12A C13A C14A C15A -177.2(17) . . . . ?
C13A C14A C15A C16A 2(3) . . . . ?
C14A C15A C16A C17A 0(3) . . . . ?
C15A C16A C17A N3A 1(3) . . . . ?
C16A C17A N3A C13A -3(3) . . . . ?
C16A C17A N3A Pt1A 175.1(14) . . . 5_776 ?
C14A C13A N3A C17A 4(3) . . . . ?
C12A C13A N3A C17A 178.1(15) . . . . ?
C14A C13A N3A Pt1A -173.9(15) . . . 5_776 ?
C12A C13A N3A Pt1A -0.1(18) . . . 5_776 ?
C23A C18A C19A C20A 0.0 . . . . ?
Pt2A C18A C19A C20A -178.7(10) . . . . ?
C18A C19A C20A C21A 0.0 . . . . ?
C19A C20A C21A C22A 0.0 . . . . ?
C20A C21A C22A C23A 0.0 . . . . ?
C21A C22A C23A C18A 0.0 . . . . ?
C21A C22A C23A C24A -178.6(12) . . . . ?
C19A C18A C23A C22A 0.0 . . . . ?
Pt2A C18A C23A C22A 178.9(8) . . . . ?
C19A C18A C23A C24A 178.7(11) . . . . ?
Pt2A C18A C23A C24A -2.4(9) . . . . ?
C22A C23A C24A C25A 2.3(15) . . . . ?
C18A C23A C24A C25A -176.4(7) . . . . ?
C22A C23A C24A N4A -176.9(7) . . . . ?
C18A C23A C24A N4A 4.5(10) . . . . ?
N4A C24A C25A C26A 0.0 . . . . ?
C23A C24A C25A C26A -179.1(13) . . . . ?
C24A C25A C26A C27A 0.0 . . . . ?
C25A C26A C27A C28A 0.0 . . . . ?
C26A C27A C28A N4A 0.0 . . . . ?
C26A C27A C28A C29A -179.3(12) . . . . ?
C27A C28A N4A C24A 0.0 . . . . ?
C29A C28A N4A C24A 179.4(10) . . . . ?
C27A C28A N4A Pt2A -176.0(7) . . . . ?
C29A C28A N4A Pt2A 3.4(11) . . . . ?
C25A C24A N4A C28A 0.0 . . . . ?
C23A C24A N4A C28A 179.2(11) . . . . ?
C25A C24A N4A Pt2A 176.0(7) . . . . ?
C23A C24A N4A Pt2A -4.8(9) . . . . ?
C33A N5A C29A C30A 0.0 . . . . ?
Pt2A N5A C29A C30A -178.5(7) . . . . ?
C33A N5A C29A C28A 178.3(12) . . . . ?
Pt2A N5A C29A C28A -0.2(10) . . . . ?
N4A C28A C29A N5A -1.9(12) . . . . ?
C27A C28A C29A N5A 177.5(7) . . . . ?
N4A C28A C29A C30A 176.3(7) . . . . ?
C27A C28A C29A C30A -4.3(13) . . . . ?
N5A C29A C30A C31A 0.0 . . . . ?
C28A C29A C30A C31A -178.2(13) . . . . ?
C29A C30A C31A C32A 0.0 . . . . ?
C30A C31A C32A C33A 0.0 . . . . ?
C31A C32A C33A N5A 0.0 . . . . ?
C29A N5A C33A C32A 0.0 . . . . ?
Pt2A N5A C33A C32A 178.2(9) . . . . ?
