#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:43:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179125 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/87/4308715.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_4308715
loop_
_publ_author_name
'Raffaello Romeo'
'Salvatore Carnabuci'
'Maria Rosaria Plutino'
'Andrea Romeo'
'Silvia Rizzato'
'Alberto Albinati'
_publ_contact_author_address
;
Dipartimento di Chimica Inorganica,
Universita di Messina,
Salita Sperone 31, Vill. S. Agata,
I-98166 Messina
;
_publ_contact_author_email       raf.romeo@chem.unime.it
_publ_contact_author_name        ' Raffaello Romeo'
_publ_section_title
;
Structural Properties and Dissociative Fluxional Motion of
2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1248
_journal_page_last               1262
_journal_paper_doi               10.1021/ic0485920
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C55 H38 B F24 N2 P Pt'
_chemical_formula_weight         1419.74
_chemical_name_common            '[Pt(Me)(dmphen)(PMe2(C6H5)](TFPB)'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.605(2)
_cell_angle_beta                 105.925(3)
_cell_angle_gamma                101.266(2)
_cell_formula_units_Z            2
_cell_length_a                   12.7849(14)
_cell_length_b                   14.5126(15)
_cell_length_c                   16.9863(18)
_cell_measurement_reflns_used    965
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.18
_cell_measurement_theta_min      2.425
_cell_volume                     2829.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT and SADABS'
_computing_molecular_graphics    'ORTEP for Windows 1.074(Farrugia 1997)'
_computing_publication_material  'WinGX 1.64.05 (L.J. Farruggia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick,1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25322
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.626
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5996
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plate
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.931
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       no
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     869
_refine_ls_number_reflns         10915
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.931
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.248
_refine_ls_shift/su_mean         0.249
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[σ²(Fo²)+(0.0531P)²+0.5123P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                9862
_reflns_number_total             10915
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0485920si20041221_104825_2.cif
_cod_data_source_block           rom10
_cod_database_code               4308715
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.748867(9) 0.363149(7) 0.811365(7) 0.04614(5) Uani 1 1 d . . .
P1 P 0.78003(7) 0.52366(6) 0.82640(6) 0.0535(2) Uani 1 1 d . . .
C1L C 0.9234(3) 0.3907(3) 0.8253(4) 0.0813(14) Uani 1 1 d . . .
H1L1 H 0.9572 0.4606 0.8418 0.122 Uiso 1 1 calc R . .
H1L2 H 0.9313 0.3593 0.7717 0.122 Uiso 1 1 calc R . .
H1L3 H 0.9606 0.3648 0.8688 0.122 Uiso 1 1 calc R . .
N2 N 0.5696(2) 0.3130(2) 0.78537(17) 0.0520(6) Uani 1 1 d . . .
N1 N 0.7177(2) 0.20685(18) 0.77603(18) 0.0514(6) Uani 1 1 d . . .
C9 C 0.4940(3) 0.3584(3) 0.8051(2) 0.0632(9) Uani 1 1 d . . .
C8 C 0.3780(4) 0.3202(4) 0.7532(3) 0.0866(14) Uani 1 1 d . . .
H8 H 0.3261 0.3532 0.7655 0.104 Uiso 1 1 calc R . .
C7 C 0.3419(4) 0.2363(5) 0.6861(3) 0.0968(16) Uani 1 1 d . . .
H7 H 0.2667 0.2149 0.6503 0.116 Uiso 1 1 calc R . .
C6' C 0.4159(4) 0.1823(4) 0.6703(3) 0.0812(13) Uani 1 1 d . . .
C6 C 0.3827(5) 0.0869(5) 0.6074(4) 0.112(2) Uani 1 1 d . . .
H6 H 0.3085 0.0611 0.5698 0.134 Uiso 1 1 calc R . .
C5 C 0.4574(6) 0.0346(4) 0.6022(3) 0.116(2) Uani 1 1 d . . .
H5 H 0.4336 -0.0269 0.5608 0.140 Uiso 1 1 calc R . .
C4' C 0.5732(5) 0.0705(3) 0.6587(3) 0.0841(14) Uani 1 1 d . . .
C4 C 0.6551(6) 0.0164(3) 0.6651(4) 0.0996(18) Uani 1 1 d . . .
H4 H 0.6381 -0.0455 0.6256 0.120 Uiso 1 1 calc R . .
C3 C 0.7564(5) 0.0536(3) 0.7273(4) 0.0899(15) Uani 1 1 d . . .
H3 H 0.8072 0.0157 0.7324 0.108 Uiso 1 1 calc R . .
C2 C 0.7870(4) 0.1493(3) 0.7852(3) 0.0681(10) Uani 1 1 d . . .
C10 C 0.5301(3) 0.2231(3) 0.7221(2) 0.0586(8) Uani 1 1 d . . .
C10' C 0.6093(3) 0.1666(2) 0.7169(2) 0.0599(9) Uani 1 1 d . . .
CMEB C 0.5307(4) 0.4417(3) 0.8851(3) 0.0755(11) Uani 1 1 d . . .
H1MA H 0.6110 0.4570 0.9125 0.113 Uiso 1 1 calc R . .
H1MB H 0.4928 0.4239 0.9231 0.113 Uiso 1 1 calc R . .
H1MC H 0.5120 0.4984 0.8716 0.113 Uiso 1 1 calc R . .
CMEA C 0.8933(4) 0.1843(4) 0.8610(3) 0.0916(14) Uani 1 1 d . . .
H2MA H 0.9016 0.2507 0.8935 0.137 Uiso 1 1 calc R . .
H2MB H 0.9569 0.1826 0.8417 0.137 Uiso 1 1 calc R . .
H2MC H 0.8897 0.1422 0.8967 0.137 Uiso 1 1 calc R . .
C121 C 0.8557(5) 0.6008(3) 0.9373(3) 0.0993(17) Uani 1 1 d . . .
H121 H 0.9225 0.5815 0.9600 0.149 Uiso 1 1 calc R . .
H122 H 0.8076 0.5930 0.9712 0.149 Uiso 1 1 calc R . .
H123 H 0.8767 0.6687 0.9391 0.149 Uiso 1 1 calc R . .
C131 C 0.8650(4) 0.5709(4) 0.7659(4) 0.0972(17) Uani 1 1 d . . .
H131 H 0.9353 0.5538 0.7795 0.146 Uiso 1 1 calc R . .
H132 H 0.8801 0.6414 0.7811 0.146 Uiso 1 1 calc R . .
H133 H 0.8242 0.5423 0.7054 0.146 Uiso 1 1 calc R . .
C111 C 0.6549(3) 0.5645(2) 0.7887(2) 0.0515(7) Uani 1 1 d . . .
C112 C 0.6354(4) 0.6469(3) 0.8374(3) 0.0723(10) Uani 1 1 d . . .
H112 H 0.6873 0.6832 0.8916 0.087 Uiso 1 1 calc R . .
C113 C 0.5389(5) 0.6745(4) 0.8052(4) 0.0956(15) Uani 1 1 d . . .
H113 H 0.5266 0.7298 0.8380 0.115 Uiso 1 1 calc R . .
C114 C 0.4621(5) 0.6225(4) 0.7267(4) 0.1000(16) Uani 1 1 d . . .
H114 H 0.3970 0.6415 0.7065 0.120 Uiso 1 1 calc R . .
C115 C 0.4800(4) 0.5411(4) 0.6764(3) 0.0887(13) Uani 1 1 d . . .
H115 H 0.4276 0.5057 0.6222 0.106 Uiso 1 1 calc R . .
C116 C 0.5765(3) 0.5128(3) 0.7076(2) 0.0631(9) Uani 1 1 d . . .
H116 H 0.5891 0.4584 0.6738 0.076 Uiso 1 1 calc R . .
B B 0.8552(3) 0.1810(2) 0.29795(19) 0.0387(6) Uani 1 1 d . . .
C1B C 0.8407(2) 0.18634(19) 0.39218(17) 0.0373(5) Uani 1 1 d . . .
C2B C 0.8999(2) 0.1446(2) 0.45018(18) 0.0414(6) Uani 1 1 d . . .
H2B H 0.9518 0.1130 0.4359 0.050 Uiso 1 1 calc R . .
C3B C 0.8837(2) 0.1490(2) 0.52871(18) 0.0430(6) Uani 1 1 d . . .
C4B C 0.8058(2) 0.1932(2) 0.55205(19) 0.0464(6) Uani 1 1 d . . .
H4B H 0.7953 0.1964 0.6046 0.056 Uiso 1 1 calc R . .
C5B C 0.7437(2) 0.2325(2) 0.4946(2) 0.0461(6) Uani 1 1 d . A .
C6B C 0.7614(2) 0.2291(2) 0.41693(18) 0.0427(6) Uani 1 1 d . . .
H6B H 0.7186 0.2563 0.3799 0.051 Uiso 1 1 calc R . .
C7B C 0.9509(3) 0.1051(3) 0.5894(2) 0.0597(8) Uani 1 1 d . . .
C8B C 0.6587(4) 0.2818(3) 0.5178(3) 0.0723(11) Uani 1 1 d . . .
C9B C 0.7602(2) 0.0790(2) 0.23054(17) 0.0406(6) Uani 1 1 d . . .
C10B C 0.6459(2) 0.0751(2) 0.1995(2) 0.0487(7) Uani 1 1 d . . .
H10B H 0.6240 0.1319 0.2165 0.058 Uiso 1 1 calc R . .
C11B C 0.5635(3) -0.0105(3) 0.1442(2) 0.0565(8) Uani 1 1 d . B .
C12B C 0.5918(3) -0.0967(2) 0.1168(2) 0.0570(8) Uani 1 1 d . . .
H12B H 0.5367 -0.1537 0.0793 0.068 Uiso 1 1 calc R . .
C13B C 0.7038(3) -0.0961(2) 0.14620(19) 0.0498(7) Uani 1 1 d . . .
C14B C 0.7864(2) -0.0103(2) 0.20350(18) 0.0435(6) Uani 1 1 d . . .
H14D H 0.8609 -0.0125 0.2242 0.052 Uiso 1 1 calc R . .
C15B C 0.4422(3) -0.0071(4) 0.1122(3) 0.0847(13) Uani 1 1 d . . .
C16B C 0.7423(4) -0.1845(3) 0.1140(3) 0.0673(10) Uani 1 1 d . . .
C17B C 0.9829(2) 0.18338(19) 0.29613(17) 0.0384(6) Uani 1 1 d . . .
C18B C 1.0021(2) 0.1477(2) 0.21883(19) 0.0434(6) Uani 1 1 d . . .
H18B H 0.9398 0.1171 0.1689 0.052 Uiso 1 1 calc R . .
C19B C 1.1096(3) 0.1558(2) 0.2132(2) 0.0470(7) Uani 1 1 d . . .
C20B C 1.2048(3) 0.2023(2) 0.2856(2) 0.0538(8) Uani 1 1 d . . .
H20B H 1.2771 0.2077 0.2824 0.065 Uiso 1 1 calc R . .
C21B C 1.1892(3) 0.2406(2) 0.3630(2) 0.0532(7) Uani 1 1 d . C .
C22B C 1.0812(2) 0.2316(2) 0.36808(19) 0.0454(6) Uani 1 1 d . . .
H22B H 1.0737 0.2584 0.4210 0.054 Uiso 1 1 calc R . .
C23B C 1.1195(3) 0.1141(3) 0.1271(3) 0.0632(9) Uani 1 1 d . . .
C24B C 1.2906(3) 0.2927(5) 0.4425(3) 0.0917(15) Uani 1 1 d . . .
C25B C 0.8354(2) 0.2797(2) 0.27038(17) 0.0387(6) Uani 1 1 d . . .
C26B C 0.7907(3) 0.2788(2) 0.18518(19) 0.0471(7) Uani 1 1 d . . .
H26B H 0.7626 0.2186 0.1418 0.056 Uiso 1 1 calc R . .
C27B C 0.7867(3) 0.3648(3) 0.1628(2) 0.0557(8) Uani 1 1 d . D .
C28B C 0.8720(3) 0.4589(2) 0.3098(2) 0.0495(7) Uani 1 1 d . . .
C29B C 0.8273(3) 0.4559(2) 0.2247(2) 0.0549(8) Uani 1 1 d . . .
H29B H 0.8249 0.5134 0.2099 0.066 Uiso 1 1 calc R . .
C30B C 0.8766(2) 0.3733(2) 0.33183(18) 0.0438(6) Uani 1 1 d . . .
H30B H 0.9081 0.3782 0.3894 0.053 Uiso 1 1 calc R . .
C31B C 0.7388(5) 0.3582(4) 0.0695(3) 0.0961(16) Uani 1 1 d . . .
C32B C 0.9178(4) 0.5570(3) 0.3786(3) 0.0790(12) Uani 1 1 d . . .
F1 F 1.05100(19) 0.1025(2) 0.58098(16) 0.0898(7) Uani 1 1 d . . .
F2 F 0.9706(3) 0.1527(2) 0.67148(14) 0.0993(9) Uani 1 1 d . . .
F3 F 0.8981(2) 0.0115(2) 0.57823(19) 0.0938(8) Uani 1 1 d . . .
F4A F 0.6199(12) 0.2612(11) 0.5712(8) 0.124(6) Uani 0.474(14) 1 d PD A 1
F5A F 0.6808(13) 0.3705(8) 0.5253(14) 0.168(9) Uani 0.474(14) 1 d PD A 1
F6A F 0.5587(8) 0.2455(14) 0.4429(6) 0.135(5) Uani 0.474(14) 1 d PD A 1
F4B F 0.7044(9) 0.3445(11) 0.6010(5) 0.160(6) Uani 0.526(14) 1 d PD A 2
F5B F 0.6217(11) 0.3332(10) 0.4731(8) 0.111(5) Uani 0.526(14) 1 d PD A 2
F6B F 0.5740(10) 0.2188(7) 0.5231(11) 0.138(6) Uani 0.526(14) 1 d PD A 2
F7A F 0.4185(5) 0.0569(6) 0.1833(5) 0.113(3) Uani 0.554(10) 1 d PD B 3
F8A F 0.4168(7) 0.0295(10) 0.0567(6) 0.156(6) Uani 0.554(10) 1 d PD B 3
F9A F 0.3691(8) -0.0878(6) 0.1034(7) 0.140(5) Uani 0.554(10) 1 d PD B 3
F7B F 0.3822(9) -0.0364(12) 0.1460(8) 0.189(9) Uani 0.446(10) 1 d PD B 4
F8B F 0.4333(9) 0.0721(7) 0.0929(8) 0.120(5) Uani 0.446(10) 1 d PD B 4
F9B F 0.3908(6) -0.0734(6) 0.0218(5) 0.113(4) Uani 0.446(10) 1 d PD B 4
F10 F 0.8104(3) -0.2076(2) 0.1762(2) 0.1009(8) Uani 1 1 d . . .
F11 F 0.8001(3) -0.1713(2) 0.0618(2) 0.1219(12) Uani 1 1 d . . .
F12 F 0.6573(3) -0.26664(17) 0.0717(2) 0.1038(9) Uani 1 1 d . . .
F13 F 1.2242(3) 0.1185(3) 0.1295(2) 0.1357(14) Uani 1 1 d . . .
F14 F 1.0775(3) 0.1571(2) 0.07082(16) 0.1036(10) Uani 1 1 d . . .
F15 F 1.0637(3) 0.01952(17) 0.09217(17) 0.1048(10) Uani 1 1 d . . .
F16A F 1.3698(9) 0.3530(8) 0.4379(7) 0.138(5) Uani 0.513(13) 1 d PD C 1
F17A F 1.3435(7) 0.2187(6) 0.4658(6) 0.132(4) Uani 0.513(13) 1 d PD C 1
F18A F 1.2691(6) 0.3254(8) 0.5131(6) 0.116(5) Uani 0.513(13) 1 d PD C 1
F16B F 1.3829(9) 0.2977(12) 0.4269(9) 0.183(6) Uani 0.487(13) 1 d PD C 2
F17B F 1.2881(12) 0.2714(12) 0.5046(7) 0.190(9) Uani 0.487(13) 1 d PD C 2
F18B F 1.2941(10) 0.3954(7) 0.4629(8) 0.163(6) Uani 0.487(13) 1 d PD C 2
F19A F 0.6290(9) 0.3197(12) 0.0413(9) 0.159(5) Uani 0.65(3) 1 d PD D 3
F20A F 0.7766(17) 0.2968(15) 0.0183(5) 0.162(6) Uani 0.65(3) 1 d PD D 3
F21A F 0.7601(13) 0.4401(8) 0.0526(6) 0.140(5) Uani 0.65(3) 1 d PD D 3
F19B F 0.661(2) 0.2876(14) 0.0207(11) 0.165(14) Uani 0.35(3) 1 d PD D 4
F20B F 0.8185(13) 0.381(3) 0.0393(9) 0.157(12) Uani 0.35(3) 1 d PD D 4
F21B F 0.693(3) 0.4400(16) 0.0697(10) 0.165(10) Uani 0.35(3) 1 d PD D 4
F22 F 0.8915(5) 0.5564(2) 0.4472(2) 0.1674(18) Uani 1 1 d . . .
F23 F 1.0274(3) 0.5808(3) 0.4141(3) 0.175(2) Uani 1 1 d . . .
F24 F 0.8934(5) 0.6297(2) 0.3562(2) 0.178(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 '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'
B B 0.0013 0.0007 '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
C1L Pt1 N1 94.36(12) . . ?
C1L Pt1 N2 171.25(13) . . ?
N1 Pt1 N2 77.46(11) . . ?
C1L Pt1 P1 83.94(9) . . ?
N1 Pt1 P1 170.74(7) . . ?
N2 Pt1 P1 103.64(8) . . ?
C111 P1 C121 106.6(2) . . ?
C111 P1 C131 100.36(19) . . ?
C121 P1 C131 104.0(3) . . ?
C111 P1 Pt1 115.77(11) . . ?
C121 P1 Pt1 112.85(16) . . ?
C131 P1 Pt1 115.84(17) . . ?
C9 N2 C10 118.5(3) . . ?
C9 N2 Pt1 132.9(2) . . ?
C10 N2 Pt1 107.1(2) . . ?
C2 N1 C10' 119.0(3) . . ?
C2 N1 Pt1 132.0(3) . . ?
C10' N1 Pt1 107.0(2) . . ?
N2 C9 C8 119.6(4) . . ?
N2 C9 CMEB 119.6(3) . . ?
C8 C9 CMEB 120.5(4) . . ?
C7 C8 C9 120.8(5) . . ?
C8 C7 C6' 120.6(4) . . ?
C7 C6' C10 116.8(4) . . ?
C7 C6' C6 124.5(5) . . ?
C10 C6' C6 118.7(5) . . ?
C5 C6 C6' 120.8(5) . . ?
C6 C5 C4' 122.1(5) . . ?
C10' C4' C4 115.7(5) . . ?
C10' C4' C5 117.9(5) . . ?
C4 C4' C5 126.3(5) . . ?
C3 C4 C4' 120.8(4) . . ?
C4 C3 C2 121.0(5) . . ?
N1 C2 C3 120.3(4) . . ?
N1 C2 CMEA 119.4(4) . . ?
C3 C2 CMEA 120.1(4) . . ?
N2 C10 C6' 123.0(4) . . ?
N2 C10 C10' 116.5(3) . . ?
C6' C10 C10' 120.1(4) . . ?
N1 C10' C4' 122.5(4) . . ?
N1 C10' C10 117.2(3) . . ?
C4' C10' C10 120.0(4) . . ?
C116 C111 C112 118.5(3) . . ?
C116 C111 P1 118.8(3) . . ?
C112 C111 P1 122.6(3) . . ?
C111 C112 C113 120.0(4) . . ?
C114 C113 C112 120.9(4) . . ?
C113 C114 C115 120.4(4) . . ?
C116 C115 C114 119.3(4) . . ?
C115 C116 C111 120.8(4) . . ?
C17B B C9B 112.2(2) . . ?
C17B B C1B 114.2(2) . . ?
C9B B C1B 105.1(2) . . ?
C17B B C25B 102.4(2) . . ?
C9B B C25B 112.1(2) . . ?
C1B B C25B 111.1(2) . . ?
C6B C1B C2B 115.4(2) . . ?
C6B C1B B 120.7(2) . . ?
C2B C1B B 123.8(2) . . ?
C3B C2B C1B 122.1(3) . . ?
C4B C3B C2B 121.1(3) . . ?
C4B C3B C7B 118.7(3) . . ?
C2B C3B C7B 120.1(3) . . ?
C3B C4B C5B 117.8(3) . . ?
C6B C5B C4B 120.7(3) . . ?
C6B C5B C8B 119.8(3) . . ?
C4B C5B C8B 119.5(3) . . ?
C5B C6B C1B 122.7(3) . . ?
F2 C7B F3 105.2(3) . . ?
F2 C7B F1 106.9(3) . . ?
F3 C7B F1 104.9(3) . . ?
F2 C7B C3B 112.8(3) . . ?
F3 C7B C3B 112.6(3) . . ?
F1 C7B C3B 113.7(3) . . ?
F4A C8B F5A 113.1(7) . . ?
F4A C8B F5B 123.1(6) . . ?
F5A C8B F5B 44.9(6) . . ?
F4A C8B F6B 39.9(5) . . ?
F5A C8B F6B 133.8(7) . . ?
F5B C8B F6B 109.8(6) . . ?
F4A C8B F4B 61.6(6) . . ?
F5A C8B F4B 64.3(7) . . ?
F5B C8B F4B 105.2(6) . . ?
F6B C8B F4B 101.2(5) . . ?
F4A C8B F6A 100.6(6) . . ?
F5A C8B F6A 100.0(6) . . ?
F5B C8B F6A 55.6(5) . . ?
F6B C8B F6A 64.8(6) . . ?
F4B C8B F6A 143.4(5) . . ?
F4A C8B C5B 119.2(6) . . ?
F5A C8B C5B 114.4(6) . . ?
F5B C8B C5B 117.1(4) . . ?
F6B C8B C5B 111.8(5) . . ?
F4B C8B C5B 110.4(4) . . ?
F6A C8B C5B 106.2(5) . . ?
C10B C9B C14B 115.5(3) . . ?
C10B C9B B 121.2(3) . . ?
C14B C9B B 123.2(2) . . ?
C11B C10B C9B 122.5(3) . . ?
C12B C11B C10B 120.9(3) . . ?
C12B C11B C15B 120.3(3) . . ?
C10B C11B C15B 118.8(4) . . ?
C11B C12B C13B 118.4(3) . . ?
C12B C13B C14B 120.6(3) . . ?
C12B C13B C16B 121.4(3) . . ?
C14B C13B C16B 117.8(3) . . ?
C13B C14B C9B 122.0(3) . . ?
F7B C15B F8A 124.6(8) . . ?
F7B C15B F9A 40.6(7) . . ?
F8A C15B F9A 115.0(6) . . ?
F7B C15B F8B 116.7(8) . . ?
F8A C15B F8B 33.1(6) . . ?
F9A C15B F8B 133.5(8) . . ?
F7B C15B F9B 103.9(7) . . ?
F8A C15B F9B 62.1(7) . . ?
F9A C15B F9B 66.6(5) . . ?
F8B C15B F9B 95.0(5) . . ?
F7B C15B F7A 56.5(8) . . ?
F8A C15B F7A 102.2(6) . . ?
F9A C15B F7A 96.6(5) . . ?
F8B C15B F7A 73.2(6) . . ?
F9B C15B F7A 144.1(5) . . ?
F7B C15B C11B 117.6(7) . . ?
F8A C15B C11B 117.7(6) . . ?
F9A C15B C11B 113.4(7) . . ?
F8B C15B C11B 112.9(6) . . ?
F9B C15B C11B 107.2(5) . . ?
F7A C15B C11B 108.7(4) . . ?
F11 C16B F10 105.2(4) . . ?
F11 C16B F12 107.0(3) . . ?
F10 C16B F12 104.6(3) . . ?
F11 C16B C13B 112.4(3) . . ?
F10 C16B C13B 113.6(3) . . ?
F12 C16B C13B 113.3(3) . . ?
C18B C17B C22B 115.0(3) . . ?
C18B C17B B 121.1(2) . . ?
C22B C17B B 123.4(2) . . ?
C19B C18B C17B 123.1(3) . . ?
C20B C19B C18B 120.4(3) . . ?
C20B C19B C23B 121.2(3) . . ?
C18B C19B C23B 118.3(3) . . ?
C19B C20B C21B 118.1(3) . . ?
C20B C21B C22B 121.0(3) . . ?
C20B C21B C24B 119.5(3) . . ?
C22B C21B C24B 119.5(3) . . ?
C21B C22B C17B 122.3(3) . . ?
F14 C23B F13 107.1(3) . . ?
F14 C23B F15 105.4(4) . . ?
F13 C23B F15 105.1(3) . . ?
F14 C23B C19B 113.1(3) . . ?
F13 C23B C19B 113.7(3) . . ?
F15 C23B C19B 111.9(3) . . ?
F17B C24B F16A 125.2(9) . . ?
F17B C24B F16B 115.8(8) . . ?
F16A C24B F16B 39.1(5) . . ?
F17B C24B F18A 40.0(7) . . ?
F16A C24B F18A 111.1(6) . . ?
F16B C24B F18A 132.1(8) . . ?
F17B C24B F18B 105.1(8) . . ?
F16A C24B F18B 60.3(7) . . ?
F16B C24B F18B 99.3(7) . . ?
F18A C24B F18B 66.8(6) . . ?
F17B C24B F17A 59.5(9) . . ?
F16A C24B F17A 102.4(6) . . ?
F16B C24B F17A 67.7(7) . . ?
F18A C24B F17A 98.4(6) . . ?
F18B C24B F17A 146.6(5) . . ?
F17B C24B C21B 116.3(8) . . ?
F16A C24B C21B 118.5(7) . . ?
F16B C24B C21B 112.0(7) . . ?
F18A C24B C21B 115.9(5) . . ?
F18B C24B C21B 106.0(5) . . ?
F17A C24B C21B 107.4(5) . . ?
C26B C25B C30B 115.3(3) . . ?
C26B C25B B 123.5(2) . . ?
C30B C25B B 120.7(2) . . ?
C27B C26B C25B 122.5(3) . . ?
C29B C27B C26B 121.0(3) . . ?
C29B C27B C31B 119.5(3) . . ?
C26B C27B C31B 119.5(3) . . ?
C30B C28B C29B 121.1(3) . . ?
C30B C28B C32B 119.8(3) . . ?
C29B C28B C32B 119.1(3) . . ?
C27B C29B C28B 117.8(3) . . ?
C28B C30B C25B 122.4(3) . . ?
F19B C31B F21A 121.8(11) . . ?
F19B C31B F20B 113.5(10) . . ?
F21A C31B F20B 59.2(11) . . ?
F19B C31B F19A 35.1(13) . . ?
F21A C31B F19A 108.6(8) . . ?
F20B C31B F19A 138.7(8) . . ?
F19B C31B F20A 69.6(11) . . ?
F21A C31B F20A 105.4(7) . . ?
F20B C31B F20A 52.0(12) . . ?
F19A C31B F20A 104.4(6) . . ?
F19B C31B F21B 104.3(10) . . ?
F21A C31B F21B 42.1(9) . . ?
F20B C31B F21B 101.2(8) . . ?
F19A C31B F21B 75.1(12) . . ?
F20A C31B F21B 139.4(9) . . ?
F19B C31B C27B 119.7(9) . . ?
F21A C31B C27B 115.4(5) . . ?
F20B C31B C27B 110.7(7) . . ?
F19A C31B C27B 109.8(8) . . ?
F20A C31B C27B 112.6(5) . . ?
F21B C31B C27B 105.2(8) . . ?
F24 C32B F23 107.3(4) . . ?
F24 C32B F22 107.8(5) . . ?
F23 C32B F22 97.9(5) . . ?
F24 C32B C28B 116.2(4) . . ?
F23 C32B C28B 112.5(4) . . ?
F22 C32B C28B 113.5(4) . . ?
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 C1L 2.124(3) . ?
Pt1 N1 2.131(2) . ?
Pt1 N2 2.149(3) . ?
Pt1 P1 2.2253(8) . ?
P1 C111 1.819(3) . ?
P1 C121 1.823(4) . ?
P1 C131 1.833(5) . ?
N2 C9 1.343(5) . ?
N2 C10 1.378(4) . ?
N1 C2 1.336(5) . ?
N1 C10' 1.383(5) . ?
C9 C8 1.420(6) . ?
C9 CMEB 1.478(6) . ?
C8 C7 1.354(8) . ?
C7 C6' 1.382(8) . ?
C6' C10 1.403(5) . ?
C6' C6 1.437(8) . ?
C6 C5 1.339(9) . ?
C5 C4' 1.438(8) . ?
C4' C10' 1.410(5) . ?
C4' C4 1.422(8) . ?
C4 C3 1.339(8) . ?
C3 C2 1.408(6) . ?
C2 CMEA 1.492(7) . ?
C10 C10' 1.430(6) . ?
C111 C116 1.388(5) . ?
C111 C112 1.392(5) . ?
C112 C113 1.382(6) . ?
C113 C114 1.353(8) . ?
C114 C115 1.384(7) . ?
C115 C116 1.384(6) . ?
B C17B 1.636(4) . ?
B C9B 1.647(4) . ?
B C1B 1.647(4) . ?
B C25B 1.652(4) . ?
C1B C6B 1.395(4) . ?
C1B C2B 1.400(4) . ?
C2B C3B 1.394(4) . ?
C3B C4B 1.381(4) . ?
C3B C7B 1.497(4) . ?
C4B C5B 1.387(4) . ?
C5B C6B 1.389(4) . ?
C5B C8B 1.501(5) . ?
C7B F2 1.330(4) . ?
C7B F3 1.337(4) . ?
C7B F1 1.333(4) . ?
C8B F4A 1.216(8) . ?
C8B F5A 1.230(10) . ?
C8B F5B 1.250(8) . ?
C8B F6B 1.312(9) . ?
C8B F4B 1.379(8) . ?
C8B F6A 1.435(9) . ?
C9B C10B 1.396(4) . ?
C9B C14B 1.406(4) . ?
C10B C11B 1.390(4) . ?
C11B C12B 1.381(5) . ?
C11B C15B 1.510(5) . ?
C12B C13B 1.378(5) . ?
C13B C14B 1.402(4) . ?
C13B C16B 1.501(5) . ?
C15B F7B 1.152(9) . ?
C15B F8A 1.189(9) . ?
C15B F9A 1.296(9) . ?
C15B F8B 1.285(11) . ?
C15B F9B 1.489(9) . ?
C15B F7A 1.481(9) . ?
C16B F11 1.323(4) . ?
C16B F10 1.327(5) . ?
C16B F12 1.335(4) . ?
C17B C18B 1.399(4) . ?
C17B C22B 1.405(4) . ?
C18B C19B 1.388(4) . ?
C19B C20B 1.384(5) . ?
C19B C23B 1.495(5) . ?
C20B C21B 1.385(5) . ?
C21B C22B 1.390(4) . ?
C21B C24B 1.501(5) . ?
C23B F14 1.312(5) . ?
C23B F13 1.317(5) . ?
C23B F15 1.322(4) . ?
C24B F17B 1.174(11) . ?
C24B F16A 1.236(10) . ?
C24B F16B 1.272(11) . ?
C24B F18A 1.305(9) . ?
C24B F18B 1.438(12) . ?
C24B F17A 1.450(9) . ?
C25B C26B 1.399(4) . ?
C25B C30B 1.402(4) . ?
C26B C27B 1.393(4) . ?
C27B C29B 1.379(5) . ?
C27B C31B 1.508(5) . ?
C28B C30B 1.387(4) . ?
C28B C29B 1.387(5) . ?
C28B C32B 1.500(5) . ?
C31B F19B 1.214(15) . ?
C31B F21A 1.282(9) . ?
C31B F20B 1.281(15) . ?
C31B F19A 1.308(13) . ?
C31B F20A 1.348(10) . ?
C31B F21B 1.422(15) . ?
C32B F24 1.268(5) . ?
C32B F23 1.302(6) . ?
C32B F22 1.300(6) . ?
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
C1L Pt1 P1 C111 161.0(2) . . . . ?
N1 Pt1 P1 C111 81.2(5) . . . . ?
N2 Pt1 P1 C111 -14.51(15) . . . . ?
C1L Pt1 P1 C121 -75.8(3) . . . . ?
N1 Pt1 P1 C121 -155.6(5) . . . . ?
N2 Pt1 P1 C121 108.7(2) . . . . ?
C1L Pt1 P1 C131 43.9(3) . . . . ?
N1 Pt1 P1 C131 -35.9(5) . . . . ?
N2 Pt1 P1 C131 -131.6(2) . . . . ?
C1L Pt1 N2 C9 -175.6(9) . . . . ?
N1 Pt1 N2 C9 163.4(3) . . . . ?
P1 Pt1 N2 C9 -26.0(3) . . . . ?
C1L Pt1 N2 C10 -10.5(10) . . . . ?
N1 Pt1 N2 C10 -31.5(2) . . . . ?
P1 Pt1 N2 C10 139.07(19) . . . . ?
C1L Pt1 N1 C2 18.0(3) . . . . ?
N2 Pt1 N1 C2 -165.2(3) . . . . ?
P1 Pt1 N1 C2 97.0(5) . . . . ?
C1L Pt1 N1 C10' -145.3(2) . . . . ?
N2 Pt1 N1 C10' 31.5(2) . . . . ?
P1 Pt1 N1 C10' -66.3(6) . . . . ?
C10 N2 C9 C8 -8.5(5) . . . . ?
Pt1 N2 C9 C8 155.2(3) . . . . ?
C10 N2 C9 CMEB 165.6(3) . . . . ?
Pt1 N2 C9 CMEB -30.6(5) . . . . ?
N2 C9 C8 C7 2.6(6) . . . . ?
CMEB C9 C8 C7 -171.5(4) . . . . ?
C9 C8 C7 C6' 4.6(7) . . . . ?
C8 C7 C6' C10 -5.4(7) . . . . ?
C8 C7 C6' C6 172.2(5) . . . . ?
C7 C6' C6 C5 -172.8(5) . . . . ?
C10 C6' C6 C5 4.8(8) . . . . ?
C6' C6 C5 C4' 0.1(9) . . . . ?
C6 C5 C4' C10' -4.3(8) . . . . ?
C6 C5 C4' C4 172.2(5) . . . . ?
C10' C4' C4 C3 4.7(6) . . . . ?
C5 C4' C4 C3 -171.8(5) . . . . ?
C4' C4 C3 C2 -3.5(7) . . . . ?
C10' N1 C2 C3 9.1(5) . . . . ?
Pt1 N1 C2 C3 -152.6(3) . . . . ?
C10' N1 C2 CMEA -166.4(3) . . . . ?
Pt1 N1 C2 CMEA 32.0(5) . . . . ?
C4 C3 C2 N1 -3.7(6) . . . . ?
C4 C3 C2 CMEA 171.7(4) . . . . ?
C9 N2 C10 C6' 7.8(5) . . . . ?
Pt1 N2 C10 C6' -159.8(3) . . . . ?
C9 N2 C10 C10' -165.6(3) . . . . ?
Pt1 N2 C10 C10' 26.7(3) . . . . ?
C7 C6' C10 N2 -0.8(6) . . . . ?
C6 C6' C10 N2 -178.6(4) . . . . ?
C7 C6' C10 C10' 172.4(4) . . . . ?
C6 C6' C10 C10' -5.3(6) . . . . ?
C2 N1 C10' C4' -7.7(5) . . . . ?
Pt1 N1 C10' C4' 158.1(3) . . . . ?
C2 N1 C10' C10 166.5(3) . . . . ?
Pt1 N1 C10' C10 -27.7(3) . . . . ?
C4 C4' C10' N1 0.8(5) . . . . ?
C5 C4' C10' N1 177.6(4) . . . . ?
C4 C4' C10' C10 -173.2(3) . . . . ?
C5 C4' C10' C10 3.6(5) . . . . ?
N2 C10 C10' N1 0.5(4) . . . . ?
C6' C10 C10' N1 -173.2(3) . . . . ?
N2 C10 C10' C4' 174.8(3) . . . . ?
C6' C10 C10' C4' 1.1(5) . . . . ?
C121 P1 C111 C116 -175.0(3) . . . . ?
C131 P1 C111 C116 76.9(3) . . . . ?
Pt1 P1 C111 C116 -48.5(3) . . . . ?
C121 P1 C111 C112 6.2(4) . . . . ?
C131 P1 C111 C112 -101.9(4) . . . . ?
Pt1 P1 C111 C112 132.6(3) . . . . ?
C116 C111 C112 C113 1.0(6) . . . . ?
P1 C111 C112 C113 179.8(4) . . . . ?
C111 C112 C113 C114 0.2(8) . . . . ?
C112 C113 C114 C115 -1.1(8) . . . . ?
C113 C114 C115 C116 0.7(8) . . . . ?
C114 C115 C116 C111 0.5(7) . . . . ?
C112 C111 C116 C115 -1.3(6) . . . . ?
P1 C111 C116 C115 179.8(3) . . . . ?
C17B B C1B C6B 150.4(2) . . . . ?
C9B B C1B C6B -86.2(3) . . . . ?
C25B B C1B C6B 35.2(3) . . . . ?
C17B B C1B C2B -33.5(4) . . . . ?
C9B B C1B C2B 89.9(3) . . . . ?
C25B B C1B C2B -148.7(3) . . . . ?
C6B C1B C2B C3B -2.4(4) . . . . ?
B C1B C2B C3B -178.7(2) . . . . ?
C1B C2B C3B C4B 1.5(4) . . . . ?
C1B C2B C3B C7B -178.7(3) . . . . ?
C2B C3B C4B C5B 0.4(4) . . . . ?
C7B C3B C4B C5B -179.4(3) . . . . ?
C3B C4B C5B C6B -1.3(4) . . . . ?
C3B C4B C5B C8B -179.6(3) . . . . ?
C4B C5B C6B C1B 0.3(4) . . . . ?
C8B C5B C6B C1B 178.6(3) . . . . ?
C2B C1B C6B C5B 1.5(4) . . . . ?
B C1B C6B C5B 177.9(3) . . . . ?
C4B C3B C7B F2 -31.4(4) . . . . ?
C2B C3B C7B F2 148.8(3) . . . . ?
C4B C3B C7B F3 87.5(4) . . . . ?
C2B C3B C7B F3 -92.3(4) . . . . ?
C4B C3B C7B F1 -153.4(3) . . . . ?
C2B C3B C7B F1 26.8(5) . . . . ?
C6B C5B C8B F4A 159.1(10) . . . . ?
C4B C5B C8B F4A -22.5(11) . . . . ?
C6B C5B C8B F5A -62.6(12) . . . . ?
C4B C5B C8B F5A 115.8(12) . . . . ?
C6B C5B C8B F5B -12.5(11) . . . . ?
C4B C5B C8B F5B 165.9(9) . . . . ?
C6B C5B C8B F6B 115.5(9) . . . . ?
C4B C5B C8B F6B -66.2(9) . . . . ?
C6B C5B C8B F4B -132.7(9) . . . . ?
C4B C5B C8B F4B 45.6(10) . . . . ?
C6B C5B C8B F6A 46.7(10) . . . . ?
C4B C5B C8B F6A -134.9(9) . . . . ?
C17B B C9B C10B -157.5(3) . . . . ?
C1B B C9B C10B 77.9(3) . . . . ?
C25B B C9B C10B -42.9(4) . . . . ?
C17B B C9B C14B 25.5(4) . . . . ?
C1B B C9B C14B -99.1(3) . . . . ?
C25B B C9B C14B 140.1(3) . . . . ?
C14B C9B C10B C11B -1.3(4) . . . . ?
B C9B C10B C11B -178.5(3) . . . . ?
C9B C10B C11B C12B -0.3(5) . . . . ?
C9B C10B C11B C15B -178.6(3) . . . . ?
C10B C11B C12B C13B 0.6(5) . . . . ?
C15B C11B C12B C13B 178.8(4) . . . . ?
C11B C12B C13B C14B 0.8(5) . . . . ?
C11B C12B C13B C16B -175.2(3) . . . . ?
C12B C13B C14B C9B -2.6(5) . . . . ?
C16B C13B C14B C9B 173.6(3) . . . . ?
C10B C9B C14B C13B 2.7(4) . . . . ?
B C9B C14B C13B 179.8(3) . . . . ?
C12B C11B C15B F7B 82.2(11) . . . . ?
C10B C11B C15B F7B -99.5(11) . . . . ?
C12B C11B C15B F8A -101.1(9) . . . . ?
C10B C11B C15B F8A 77.1(9) . . . . ?
C12B C11B C15B F9A 37.2(8) . . . . ?
C10B C11B C15B F9A -144.5(6) . . . . ?
C12B C11B C15B F8B -137.5(7) . . . . ?
C10B C11B C15B F8B 40.8(8) . . . . ?
C12B C11B C15B F9B -34.2(7) . . . . ?
C10B C11B C15B F9B 144.1(6) . . . . ?
C12B C11B C15B F7A 143.4(5) . . . . ?
C10B C11B C15B F7A -38.3(6) . . . . ?
C12B C13B C16B F11 107.1(4) . . . . ?
C14B C13B C16B F11 -69.0(5) . . . . ?
C12B C13B C16B F10 -133.6(3) . . . . ?
C14B C13B C16B F10 50.3(4) . . . . ?
C12B C13B C16B F12 -14.3(5) . . . . ?
C14B C13B C16B F12 169.5(3) . . . . ?
C9B B C17B C18B 39.3(4) . . . . ?
C1B B C17B C18B 158.7(2) . . . . ?
C25B B C17B C18B -81.1(3) . . . . ?
C9B B C17B C22B -149.1(3) . . . . ?
C1B B C17B C22B -29.6(4) . . . . ?
C25B B C17B C22B 90.6(3) . . . . ?
C22B C17B C18B C19B 2.1(4) . . . . ?
B C17B C18B C19B 174.4(3) . . . . ?
C17B C18B C19B C20B -1.1(4) . . . . ?
C17B C18B C19B C23B 179.5(3) . . . . ?
C18B C19B C20B C21B -0.4(4) . . . . ?
C23B C19B C20B C21B 179.0(3) . . . . ?
C19B C20B C21B C22B 0.8(5) . . . . ?
C19B C20B C21B C24B -179.2(4) . . . . ?
C20B C21B C22B C17B 0.3(5) . . . . ?
C24B C21B C22B C17B -179.7(4) . . . . ?
C18B C17B C22B C21B -1.7(4) . . . . ?
B C17B C22B C21B -173.8(3) . . . . ?
C20B C19B C23B F14 -116.8(4) . . . . ?
C18B C19B C23B F14 62.6(4) . . . . ?
C20B C19B C23B F13 5.6(5) . . . . ?
C18B C19B C23B F13 -175.0(3) . . . . ?
C20B C19B C23B F15 124.4(4) . . . . ?
C18B C19B C23B F15 -56.2(4) . . . . ?
C20B C21B C24B F17B -134.2(11) . . . . ?
C22B C21B C24B F17B 45.8(12) . . . . ?
C20B C21B C24B F16A 45.0(10) . . . . ?
C22B C21B C24B F16A -135.0(9) . . . . ?
C20B C21B C24B F16B 2.1(11) . . . . ?
C22B C21B C24B F16B -177.8(9) . . . . ?
C20B C21B C24B F18A -179.0(7) . . . . ?
C22B C21B C24B F18A 1.0(9) . . . . ?
C20B C21B C24B F18B 109.4(8) . . . . ?
C22B C21B C24B F18B -70.5(9) . . . . ?
C20B C21B C24B F17A -70.2(7) . . . . ?
C22B C21B C24B F17A 109.8(6) . . . . ?
C17B B C25B C26B 88.6(3) . . . . ?
C9B B C25B C26B -31.9(4) . . . . ?
C1B B C25B C26B -149.1(3) . . . . ?
C17B B C25B C30B -83.2(3) . . . . ?
C9B B C25B C30B 156.3(2) . . . . ?
C1B B C25B C30B 39.1(3) . . . . ?
C30B C25B C26B C27B -0.3(4) . . . . ?
B C25B C26B C27B -172.5(3) . . . . ?
C25B C26B C27B C29B 0.0(5) . . . . ?
C25B C26B C27B C31B 179.1(4) . . . . ?
C26B C27B C29B C28B -0.1(5) . . . . ?
C31B C27B C29B C28B -179.2(4) . . . . ?
C30B C28B C29B C27B 0.6(5) . . . . ?
C32B C28B C29B C27B 179.5(3) . . . . ?
C29B C28B C30B C25B -0.9(5) . . . . ?
C32B C28B C30B C25B -179.8(3) . . . . ?
C26B C25B C30B C28B 0.8(4) . . . . ?
B C25B C30B C28B 173.2(3) . . . . ?
C29B C27B C31B F19B -147(2) . . . . ?
C26B C27B C31B F19B 34(2) . . . . ?
C29B C27B C31B F21A 13.6(13) . . . . ?
C26B C27B C31B F21A -165.5(11) . . . . ?
C29B C27B C31B F20B 78(2) . . . . ?
C26B C27B C31B F20B -101(2) . . . . ?
C29B C27B C31B F19A -109.5(10) . . . . ?
C26B C27B C31B F19A 71.4(11) . . . . ?
C29B C27B C31B F20A 134.6(12) . . . . ?
C26B C27B C31B F20A -44.5(13) . . . . ?
C29B C27B C31B F21B -30.1(17) . . . . ?
C26B C27B C31B F21B 150.8(17) . . . . ?
C30B C28B C32B F24 -168.1(4) . . . . ?
C29B C28B C32B F24 13.0(7) . . . . ?
C30B C28B C32B F23 67.7(5) . . . . ?
C29B C28B C32B F23 -111.2(5) . . . . ?
C30B C28B C32B F22 -42.3(6) . . . . ?
C29B C28B C32B F22 138.8(4) . . . . ?
