#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/24/4082486.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_4082486
loop_
_publ_author_name
'Watanabe, Takahito'
'Itoh, Masato F.'
'Komuro, Takashi'
'Okada, Hiroshi'
'Sakai, Takeshi'
'Ono, Yoshihiro'
'Kawachi, Kazuhiko'
'Kasama, Yasuhiko'
'Tobita, Hiromi'
_publ_section_title
;
 Iridium and Platinum Complexes of Li+@C60
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              608
_journal_paper_doi               10.1021/om4008899
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety
'(C94 H28 Fe Li P2 Pt), 2.5 (C H2 Cl2), (F6 P)'
_chemical_formula_sum            'C96.5 H33 Cl5 F6 Fe Li P3 Pt'
_chemical_formula_weight         1834.27
_chemical_name_systematic
; 
 ? 
;
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.3556(13)
_cell_angle_beta                 93.655(2)
_cell_angle_gamma                104.1105(12)
_cell_formula_units_Z            2
_cell_length_a                   10.0730(5)
_cell_length_b                   17.9476(9)
_cell_length_c                   19.2517(8)
_cell_measurement_reflns_used    27149
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.76
_cell_volume                     3299.3(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver.1.11 '
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31525
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    2.689
_exptl_absorpt_correction_T_max  0.7385
_exptl_absorpt_correction_T_min  0.3525
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1806
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.195
_refine_diff_density_min         -2.117
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1021
_refine_ls_number_reflns         14443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0592P)²+13.7484P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                12784
_reflns_number_total             14443
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4008899_si_002.cif
_cod_data_source_block           '[(Li@C60)Pt(DPPF)](PF6)'
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C96.50 H33 Cl5 F6 Fe Li P3 Pt'
_cod_database_code               4082486
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
Pt1 Pt 0.130229(19) 0.243406(10) 0.347626(9) 0.01676(6) Uani 1 1 d .
Fe1 Fe -0.13008(8) 0.23985(4) 0.50718(4) 0.02234(16) Uani 1 1 d .
Li1 Li 0.3050(13) 0.2440(6) 0.1639(6) 0.040(3) Uani 1 1 d .
P1 P 0.08077(13) 0.34703(7) 0.41677(6) 0.0174(2) Uani 1 1 d .
P2 P 0.05385(14) 0.14328(7) 0.40518(7) 0.0196(2) Uani 1 1 d .
C1 C 0.2193(5) 0.2877(3) 0.2638(2) 0.0181(9) Uani 1 1 d .
C2 C 0.2079(5) 0.1997(3) 0.2556(3) 0.0191(9) Uani 1 1 d .
C3 C 0.3406(5) 0.1752(3) 0.2554(2) 0.0198(10) Uani 1 1 d .
C4 C 0.4689(5) 0.2292(3) 0.2704(3) 0.0227(10) Uani 1 1 d .
C5 C 0.4785(5) 0.3135(3) 0.2782(3) 0.0225(10) Uani 1 1 d .
C6 C 0.3622(5) 0.3398(3) 0.2715(3) 0.0209(10) Uani 1 1 d .
C7 C 0.3633(6) 0.4012(3) 0.2314(3) 0.0226(10) Uani 1 1 d .
C8 C 0.2279(6) 0.3841(3) 0.1917(3) 0.0232(10) Uani 1 1 d .
C9 C 0.1437(5) 0.3121(3) 0.2069(3) 0.0198(10) Uani 1 1 d .
C10 C 0.0553(5) 0.2590(3) 0.1522(3) 0.0224(10) Uani 1 1 d .
C11 C 0.0437(5) 0.1741(3) 0.1431(3) 0.0225(10) Uani 1 1 d .
C12 C 0.1228(5) 0.1472(3) 0.1902(3) 0.0199(10) Uani 1 1 d .
C13 C 0.1893(5) 0.0870(3) 0.1619(3) 0.0206(10) Uani 1 1 d .
C14 C 0.3241(6) 0.1046(3) 0.2021(3) 0.0214(10) Uani 1 1 d .
C15 C 0.4347(6) 0.0881(3) 0.1682(3) 0.0260(11) Uani 1 1 d .
C16 C 0.5683(6) 0.1440(3) 0.1846(3) 0.0270(11) Uani 1 1 d .
C17 C 0.5844(6) 0.2134(3) 0.2345(3) 0.0268(11) Uani 1 1 d .
C18 C 0.6664(5) 0.2870(4) 0.2211(3) 0.0296(12) Uani 1 1 d .
C19 C 0.6014(6) 0.3478(3) 0.2474(3) 0.0283(12) Uani 1 1 d .
C20 C 0.6018(6) 0.4083(3) 0.2113(3) 0.0308(13) Uani 1 1 d .
C21 C 0.4813(6) 0.4358(3) 0.2028(3) 0.0282(12) Uani 1 1 d .
C22 C 0.4676(7) 0.4541(3) 0.1323(3) 0.0327(13) Uani 1 1 d .
C23 C 0.3397(7) 0.4373(3) 0.0941(3) 0.0319(13) Uani 1 1 d .
C24 C 0.2160(6) 0.4011(3) 0.1241(3) 0.0271(11) Uani 1 1 d .
C25 C 0.1220(6) 0.3465(4) 0.0678(3) 0.0312(12) Uani 1 1 d .
C26 C 0.0439(5) 0.2756(3) 0.0812(3) 0.0261(11) Uani 1 1 d .
C27 C 0.0255(6) 0.2038(4) 0.0301(3) 0.0306(12) Uani 1 1 d .
C28 C 0.0256(5) 0.1413(3) 0.0678(3) 0.0271(11) Uani 1 1 d .
C29 C 0.0879(6) 0.0819(3) 0.0411(3) 0.0268(11) Uani 1 1 d .
C30 C 0.1711(6) 0.0546(3) 0.0895(3) 0.0254(11) Uani 1 1 d .
C31 C 0.2881(6) 0.0376(3) 0.0540(3) 0.0273(11) Uani 1 1 d .
C32 C 0.4160(6) 0.0546(3) 0.0926(3) 0.0278(12) Uani 1 1 d .
C33 C 0.5391(6) 0.0901(3) 0.0623(3) 0.0276(11) Uani 1 1 d .
C34 C 0.6335(6) 0.1459(4) 0.1196(3) 0.0296(12) Uani 1 1 d .
C35 C 0.7122(6) 0.2156(4) 0.1068(3) 0.0311(12) Uani 1 1 d .
C36 C 0.7295(6) 0.2876(4) 0.1584(3) 0.0336(13) Uani 1 1 d .
C37 C 0.7296(6) 0.3503(4) 0.1199(3) 0.0328(13) Uani 1 1 d .
C38 C 0.6677(6) 0.4093(3) 0.1458(3) 0.0346(14) Uani 1 1 d .
C39 C 0.5841(7) 0.4371(3) 0.0971(3) 0.0346(14) Uani 1 1 d .
C40 C 0.5656(7) 0.4050(3) 0.0247(3) 0.0367(15) Uani 1 1 d .
C41 C 0.4309(7) 0.3873(3) -0.0156(3) 0.0346(14) Uani 1 1 d .
C42 C 0.3191(7) 0.4033(3) 0.0183(3) 0.0346(14) Uani 1 1 d .
C43 C 0.1859(7) 0.3471(4) 0.0024(3) 0.0336(13) Uani 1 1 d .
C44 C 0.1681(7) 0.2775(4) -0.0467(3) 0.0341(13) Uani 1 1 d .
C45 C 0.0857(6) 0.2050(4) -0.0334(3) 0.0320(12) Uani 1 1 d .
C46 C 0.1513(6) 0.1425(4) -0.0606(3) 0.0310(12) Uani 1 1 d .
C47 C 0.1519(6) 0.0834(3) -0.0245(3) 0.0310(12) Uani 1 1 d .
C48 C 0.2749(6) 0.0556(3) -0.0168(3) 0.0275(12) Uani 1 1 d .
C49 C 0.3928(6) 0.0900(3) -0.0451(3) 0.0277(11) Uani 1 1 d .
C50 C 0.5273(6) 0.1074(3) -0.0049(3) 0.0274(11) Uani 1 1 d .
C51 C 0.6095(6) 0.1807(4) -0.0182(3) 0.0312(12) Uani 1 1 d .
C52 C 0.7010(6) 0.2335(4) 0.0360(3) 0.0296(12) Uani 1 1 d .
C53 C 0.7114(6) 0.3162(4) 0.0444(3) 0.0335(13) Uani 1 1 d .
C54 C 0.6311(6) 0.3431(3) -0.0018(3) 0.0323(13) Uani 1 1 d .
C55 C 0.5356(6) 0.2875(3) -0.0592(3) 0.0310(13) Uani 1 1 d .
C56 C 0.4136(7) 0.3150(4) -0.0667(3) 0.0336(13) Uani 1 1 d .
C57 C 0.2845(7) 0.2613(4) -0.0826(3) 0.0331(13) Uani 1 1 d .
C58 C 0.2732(6) 0.1778(4) -0.0911(3) 0.0296(12) Uani 1 1 d .
C59 C 0.3913(6) 0.1529(3) -0.0839(3) 0.0283(12) Uani 1 1 d .
C60 C 0.5259(6) 0.2081(4) -0.0667(3) 0.0289(12) Uani 1 1 d .
C61 C -0.0830(5) 0.3258(3) 0.4509(3) 0.0218(10) Uani 1 1 d .
C62 C -0.1980(5) 0.2643(3) 0.4138(3) 0.0240(10) Uani 1 1 d .
H1 H -0.2020 0.2338 0.3676 0.029 Uiso 1 1 calc R
C63 C -0.3059(6) 0.2573(4) 0.4592(3) 0.0324(13) Uani 1 1 d .
H2 H -0.3942 0.2212 0.4481 0.039 Uiso 1 1 calc R
C64 C -0.2586(6) 0.3133(4) 0.5232(3) 0.0327(13) Uani 1 1 d .
H3 H -0.3100 0.3214 0.5623 0.039 Uiso 1 1 calc R
C65 C -0.1218(6) 0.3554(3) 0.5191(3) 0.0249(11) Uani 1 1 d .
H4 H -0.0653 0.3961 0.5551 0.030 Uiso 1 1 calc R
C66 C -0.0153(6) 0.1611(3) 0.4891(3) 0.0232(10) Uani 1 1 d .
C67 C 0.0485(6) 0.2236(3) 0.5492(3) 0.0271(11) Uani 1 1 d .
H5 H 0.1371 0.2590 0.5531 0.033 Uiso 1 1 calc R
C68 C -0.0458(7) 0.2225(4) 0.6017(3) 0.0321(13) Uani 1 1 d .
H6 H -0.0296 0.2568 0.6469 0.038 Uiso 1 1 calc R
C69 C -0.1669(7) 0.1621(4) 0.5755(3) 0.0341(13) Uani 1 1 d .
H7 H -0.2464 0.1492 0.5995 0.041 Uiso 1 1 calc R
C70 C -0.1481(6) 0.1237(3) 0.5064(3) 0.0283(12) Uani 1 1 d .
H8 H -0.2132 0.0805 0.4767 0.034 Uiso 1 1 calc R
C71 C 0.2118(5) 0.4002(3) 0.4896(3) 0.0206(10) Uani 1 1 d .
C72 C 0.3270(6) 0.3727(4) 0.5033(3) 0.0307(12) Uani 1 1 d .
H9 H 0.3321 0.3231 0.4779 0.037 Uiso 1 1 calc R
C73 C 0.4335(6) 0.4171(4) 0.5537(3) 0.0403(15) Uani 1 1 d .
H10 H 0.5114 0.3978 0.5629 0.048 Uiso 1 1 calc R
C74 C 0.4279(7) 0.4898(5) 0.5911(4) 0.0469(18) Uani 1 1 d .
H11 H 0.5019 0.5203 0.6255 0.056 Uiso 1 1 calc R
C75 C 0.3138(7) 0.5176(4) 0.5780(3) 0.0394(15) Uani 1 1 d .
H12 H 0.3095 0.5673 0.6035 0.047 Uiso 1 1 calc R
C76 C 0.2070(6) 0.4732(3) 0.5281(3) 0.0289(12) Uani 1 1 d .
H13 H 0.1288 0.4925 0.5196 0.035 Uiso 1 1 calc R
C77 C 0.0757(6) 0.4231(3) 0.3665(2) 0.0202(10) Uani 1 1 d .
C78 C -0.0435(6) 0.4266(3) 0.3298(3) 0.0313(12) Uani 1 1 d .
H14 H -0.1284 0.3904 0.3326 0.038 Uiso 1 1 calc R
C79 C -0.0399(7) 0.4828(4) 0.2885(4) 0.0388(15) Uani 1 1 d .
H15 H -0.1229 0.4852 0.2637 0.047 Uiso 1 1 calc R
C80 C 0.0816(7) 0.5352(3) 0.2829(3) 0.0328(13) Uani 1 1 d .
H16 H 0.0825 0.5734 0.2544 0.039 Uiso 1 1 calc R
C81 C 0.2030(6) 0.5320(3) 0.3191(3) 0.0268(11) Uani 1 1 d .
H17 H 0.2876 0.5679 0.3156 0.032 Uiso 1 1 calc R
C82 C 0.1999(5) 0.4763(3) 0.3604(3) 0.0231(10) Uani 1 1 d .
H18 H 0.2831 0.4740 0.3850 0.028 Uiso 1 1 calc R
C83 C 0.1959(6) 0.0993(3) 0.4203(3) 0.0247(11) Uani 1 1 d .
C84 C 0.2275(6) 0.0484(3) 0.3630(3) 0.0291(12) Uani 1 1 d .
H19 H 0.1681 0.0321 0.3197 0.035 Uiso 1 1 calc R
C85 C 0.3457(7) 0.0219(4) 0.3695(4) 0.0397(15) Uani 1 1 d .
H20 H 0.3675 -0.0121 0.3306 0.048 Uiso 1 1 calc R
C86 C 0.4321(7) 0.0457(4) 0.4335(4) 0.0393(15) Uani 1 1 d .
H21 H 0.5129 0.0277 0.4379 0.047 Uiso 1 1 calc R
C87 C 0.4014(7) 0.0951(4) 0.4907(4) 0.0403(15) Uani 1 1 d .
H22 H 0.4602 0.1102 0.5342 0.048 Uiso 1 1 calc R
C88 C 0.2851(6) 0.1224(3) 0.4844(3) 0.0308(12) Uani 1 1 d .
H23 H 0.2650 0.1569 0.5235 0.037 Uiso 1 1 calc R
C89 C -0.0819(5) 0.0640(3) 0.3514(3) 0.0222(10) Uani 1 1 d .
C90 C -0.1235(6) -0.0082(3) 0.3715(3) 0.0281(12) Uani 1 1 d .
H24 H -0.0774 -0.0177 0.4123 0.034 Uiso 1 1 calc R
C91 C -0.2322(7) -0.0662(3) 0.3317(3) 0.0350(13) Uani 1 1 d .
H25 H -0.2620 -0.1148 0.3464 0.042 Uiso 1 1 calc R
C92 C -0.2988(6) -0.0541(3) 0.2702(3) 0.0339(13) Uani 1 1 d .
H26 H -0.3723 -0.0945 0.2428 0.041 Uiso 1 1 calc R
C93 C -0.2564(6) 0.0168(3) 0.2498(3) 0.0319(12) Uani 1 1 d .
H27 H -0.3007 0.0253 0.2080 0.038 Uiso 1 1 calc R
C94 C -0.1487(6) 0.0763(3) 0.2902(3) 0.0251(11) Uani 1 1 d .
H28 H -0.1207 0.1253 0.2760 0.030 Uiso 1 1 calc R
P3 P 0.42559(19) 0.73902(9) 0.27829(9) 0.0363(4) Uani 1 1 d .
F1 F 0.3595(8) 0.7499(5) 0.2050(3) 0.109(3) Uani 1 1 d .
F2 F 0.4851(8) 0.7277(5) 0.3513(3) 0.107(2) Uani 1 1 d .
F3 F 0.2737(5) 0.7125(3) 0.2996(3) 0.0586(12) Uani 1 1 d .
F4 F 0.5754(6) 0.7665(3) 0.2561(4) 0.092(2) Uani 1 1 d .
F5 F 0.4227(5) 0.6518(2) 0.2437(3) 0.0675(15) Uani 1 1 d .
F6 F 0.4270(5) 0.8268(2) 0.3121(3) 0.0775(18) Uani 1 1 d .
C95 C 0.2517(9) 0.3450(5) 0.7704(4) 0.058(2) Uani 1 1 d .
H29 H 0.3434 0.3608 0.7984 0.069 Uiso 1 1 calc R
H30 H 0.2229 0.2870 0.7577 0.069 Uiso 1 1 calc R
Cl1 Cl 0.2641(3) 0.38235(13) 0.69275(11) 0.0645(6) Uani 1 1 d .
Cl2 Cl 0.1338(3) 0.37825(16) 0.82245(13) 0.0715(7) Uani 1 1 d .
C96 C 0.1359(8) 0.8294(5) 0.2091(5) 0.0514(18) Uani 1 1 d .
H31 H 0.1939 0.8262 0.2514 0.062 Uiso 1 1 calc R
H32 H 0.1044 0.7762 0.1788 0.062 Uiso 1 1 calc R
Cl3 Cl 0.2341(3) 0.89314(12) 0.16170(13) 0.0670(6) Uani 1 1 d .
Cl4 Cl -0.0086(2) 0.86151(13) 0.23630(10) 0.0562(5) Uani 1 1 d .
C97 C -0.0272(13) 0.5031(7) 0.0421(6) 0.023(2) Uiso 0.50 1 d P
Cl5 Cl -0.0237(12) 0.4774(6) -0.0422(6) 0.140(4) Uiso 0.50 1 d P
Cl6 Cl 0.1201(6) 0.5764(3) 0.0942(3) 0.0817(14) Uiso 0.50 1 d P
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'
Cl Cl 0.1484 0.1585 '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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
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
C1 Pt1 C2 43.22(17) . .
C1 Pt1 P1 104.79(13) . .
C2 Pt1 P1 147.98(13) . .
C1 Pt1 P2 151.84(13) . .
C2 Pt1 P2 108.62(13) . .
P1 Pt1 P2 103.36(5) . .
C61 Fe1 C65 41.7(2) . .
C61 Fe1 C66 113.1(2) . .
C65 Fe1 C66 143.3(2) . .
C61 Fe1 C67 108.4(2) . .
C65 Fe1 C67 111.2(2) . .
C66 Fe1 C67 41.8(2) . .
C61 Fe1 C62 41.4(2) . .
C65 Fe1 C62 69.5(2) . .
C66 Fe1 C62 110.6(2) . .
C67 Fe1 C62 135.8(2) . .
C61 Fe1 C70 145.1(2) . .
C65 Fe1 C70 173.2(2) . .
C66 Fe1 C70 41.1(2) . .
C67 Fe1 C70 69.1(2) . .
C62 Fe1 C70 115.3(2) . .
C61 Fe1 C64 69.0(2) . .
C65 Fe1 C64 40.5(2) . .
C66 Fe1 C64 176.0(2) . .
C67 Fe1 C64 141.5(2) . .
C62 Fe1 C64 68.6(2) . .
C70 Fe1 C64 135.3(2) . .
C61 Fe1 C63 69.0(2) . .
C65 Fe1 C63 68.3(2) . .
C66 Fe1 C63 136.8(2) . .
C67 Fe1 C63 176.6(2) . .
C62 Fe1 C63 40.9(2) . .
C70 Fe1 C63 111.7(2) . .
C64 Fe1 C63 40.2(3) . .
C61 Fe1 C68 133.9(2) . .
C65 Fe1 C68 107.6(2) . .
C66 Fe1 C68 69.1(2) . .
C67 Fe1 C68 40.8(2) . .
C62 Fe1 C68 175.0(2) . .
C70 Fe1 C68 67.9(2) . .
C64 Fe1 C68 112.1(2) . .
C63 Fe1 C68 142.5(2) . .
C61 Fe1 C69 173.1(2) . .
C65 Fe1 C69 132.7(2) . .
C66 Fe1 C69 69.2(2) . .
C67 Fe1 C69 68.7(2) . .
C62 Fe1 C69 144.9(2) . .
C70 Fe1 C69 40.7(2) . .
C64 Fe1 C69 109.1(2) . .
C63 Fe1 C69 114.2(2) . .
C68 Fe1 C69 40.0(3) . .
C2 Li1 C1 39.9(2) . .
C2 Li1 C12 38.0(2) . .
C1 Li1 C12 68.2(3) . .
C2 Li1 C9 67.7(3) . .
C1 Li1 C9 37.4(2) . .
C12 Li1 C9 75.1(4) . .
C2 Li1 C6 67.3(3) . .
C1 Li1 C6 37.5(2) . .
C12 Li1 C6 103.0(4) . .
C9 Li1 C6 59.4(3) . .
C2 Li1 C3 37.8(2) . .
C1 Li1 C3 67.9(3) . .
C12 Li1 C3 59.5(3) . .
C9 Li1 C3 103.0(4) . .
C6 Li1 C3 74.0(4) . .
C2 Li1 C10 74.3(4) . .
C1 Li1 C10 62.2(3) . .
C12 Li1 C10 60.0(3) . .
C9 Li1 C10 32.0(2) . .
C6 Li1 C10 91.2(4) . .
C3 Li1 C10 111.4(4) . .
C2 Li1 C11 62.8(3) . .
C1 Li1 C11 74.6(4) . .
C12 Li1 C11 32.3(2) . .
C9 Li1 C11 60.0(3) . .
C6 Li1 C11 111.5(5) . .
C3 Li1 C11 91.5(4) . .
C10 Li1 C11 33.1(2) . .
C2 Li1 C5 73.5(4) . .
C1 Li1 C5 61.7(3) . .
C12 Li1 C5 110.7(4) . .
C9 Li1 C5 90.5(4) . .
C6 Li1 C5 31.3(2) . .
C3 Li1 C5 59.0(3) . .
C10 Li1 C5 121.7(4) . .
C11 Li1 C5 133.6(4) . .
C2 Li1 C4 61.9(3) . .
C1 Li1 C4 73.8(4) . .
C12 Li1 C4 90.8(4) . .
C9 Li1 C4 110.5(4) . .
C6 Li1 C4 58.8(3) . .
C3 Li1 C4 31.6(2) . .
C10 Li1 C4 133.4(4) . .
C11 Li1 C4 122.3(4) . .
C5 Li1 C4 32.4(2) . .
C2 Li1 C13 56.5(3) . .
C1 Li1 C13 94.9(4) . .
C12 Li1 C13 31.6(2) . .
C9 Li1 C13 106.6(4) . .
C6 Li1 C13 122.0(4) . .
C3 Li1 C13 53.6(3) . .
C10 Li1 C13 86.8(4) . .
C11 Li1 C13 54.2(3) . .
C5 Li1 C13 112.5(4) . .
C4 Li1 C13 82.1(4) . .
C2 Li1 C14 56.3(3) . .
C1 Li1 C14 94.5(4) . .
C12 Li1 C14 53.7(3) . .
C9 Li1 C14 122.5(4) . .
C6 Li1 C14 105.2(4) . .
C3 Li1 C14 31.4(2) . .
C10 Li1 C14 113.6(4) . .
C11 Li1 C14 82.8(4) . .
C5 Li1 C14 85.6(4) . .
C4 Li1 C14 53.5(3) . .
C13 Li1 C14 30.4(2) . .
C61 P1 C71 108.6(2) . .
C61 P1 C77 105.2(2) . .
C71 P1 C77 101.2(2) . .
C61 P1 Pt1 115.07(17) . .
C71 P1 Pt1 115.02(17) . .
C77 P1 Pt1 110.43(16) . .
C66 P2 C89 103.1(2) . .
C66 P2 C83 106.6(2) . .
C89 P2 C83 104.9(2) . .
C66 P2 Pt1 120.56(17) . .
C89 P2 Pt1 112.53(17) . .
C83 P2 Pt1 107.96(16) . .
C9 C1 C6 104.3(4) . .
C9 C1 C2 116.8(4) . .
C6 C1 C2 115.9(4) . .
C9 C1 Pt1 124.6(3) . .
C6 C1 Pt1 123.1(3) . .
C2 C1 Pt1 68.4(3) . .
C9 C1 Li1 75.5(4) . .
C6 C1 Li1 76.0(4) . .
C2 C1 Li1 70.0(4) . .
Pt1 C1 Li1 138.4(4) . .
C12 C2 C3 102.9(4) . .
C12 C2 C1 116.5(4) . .
C3 C2 C1 116.9(4) . .
C12 C2 Pt1 125.2(3) . .
C3 C2 Pt1 123.9(3) . .
C1 C2 Pt1 68.4(3) . .
C12 C2 Li1 74.7(4) . .
C3 C2 Li1 75.9(4) . .
C1 C2 Li1 70.1(4) . .
Pt1 C2 Li1 138.5(4) . .
C4 C3 C14 118.8(5) . .
C4 C3 C2 122.4(4) . .
C14 C3 C2 109.8(4) . .
C4 C3 Li1 84.6(4) . .
C14 C3 Li1 89.6(4) . .
C2 C3 Li1 66.3(4) . .
C3 C4 C17 120.2(5) . .
C3 C4 C5 119.7(5) . .
C17 C4 C5 107.9(5) . .
C3 C4 Li1 63.8(4) . .
C17 C4 Li1 101.4(4) . .
C5 C4 Li1 73.3(4) . .
C6 C5 C19 120.7(5) . .
C6 C5 C4 120.9(5) . .
C19 C5 C4 107.0(5) . .
C6 C5 Li1 64.3(4) . .
C19 C5 Li1 101.5(4) . .
C4 C5 Li1 74.3(4) . .
C5 C6 C7 118.6(5) . .
C5 C6 C1 123.4(4) . .
C7 C6 C1 109.2(5) . .
C5 C6 Li1 84.4(4) . .
C7 C6 Li1 89.9(4) . .
C1 C6 Li1 66.5(4) . .
C21 C7 C6 121.4(5) . .
C21 C7 C8 120.5(5) . .
C6 C7 C8 107.8(4) . .
C21 C7 Li1 103.2(4) . .
C6 C7 Li1 58.7(3) . .
C8 C7 Li1 74.6(4) . .
C24 C8 C9 120.8(5) . .
C24 C8 C7 119.8(5) . .
C9 C8 C7 108.2(4) . .
C24 C8 Li1 101.8(4) . .
C9 C8 Li1 58.3(3) . .
C7 C8 Li1 75.1(4) . .
C10 C9 C8 118.8(5) . .
C10 C9 C1 122.9(4) . .
C8 C9 C1 109.3(4) . .
C10 C9 Li1 83.1(4) . .
C8 C9 Li1 90.2(4) . .
C1 C9 Li1 67.1(4) . .
C9 C10 C26 120.9(5) . .
C9 C10 C11 120.8(5) . .
C26 C10 C11 106.5(4) . .
C9 C10 Li1 64.9(4) . .
C26 C10 Li1 101.0(4) . .
C11 C10 Li1 73.5(4) . .
C12 C11 C28 120.7(5) . .
C12 C11 C10 119.5(4) . .
C28 C11 C10 108.0(5) . .
C12 C11 Li1 64.2(4) . .
C28 C11 Li1 101.5(4) . .
C10 C11 Li1 73.4(4) . .
C11 C12 C13 118.6(4) . .
C11 C12 C2 122.7(4) . .
C13 C12 C2 110.1(4) . .
C11 C12 Li1 83.6(4) . .
C13 C12 Li1 90.3(4) . .
C2 C12 Li1 67.3(4) . .
C30 C13 C12 120.9(5) . .
C30 C13 C14 120.2(5) . .
C12 C13 C14 107.8(4) . .
C30 C13 Li1 101.9(4) . .
C12 C13 Li1 58.1(3) . .
C14 C13 Li1 75.2(4) . .
C15 C14 C3 121.6(5) . .
C15 C14 C13 119.8(5) . .
C3 C14 C13 108.3(4) . .
C15 C14 Li1 103.0(4) . .
C3 C14 Li1 59.1(3) . .
C13 C14 Li1 74.4(4) . .
C14 C15 C16 119.4(5) . .
C14 C15 C32 120.1(5) . .
C16 C15 C32 108.0(5) . .
C17 C16 C15 119.5(5) . .
C17 C16 C34 119.8(5) . .
C15 C16 C34 108.5(5) . .
C16 C17 C4 120.6(5) . .
C16 C17 C18 119.8(5) . .
C4 C17 C18 108.0(5) . .
C36 C18 C19 120.4(6) . .
C36 C18 C17 119.6(5) . .
C19 C18 C17 108.2(5) . .
C20 C19 C18 120.4(5) . .
C20 C19 C5 119.8(5) . .
C18 C19 C5 108.9(5) . .
C19 C20 C21 120.4(5) . .
C19 C20 C38 119.5(6) . .
C21 C20 C38 107.9(6) . .
C7 C21 C20 119.0(5) . .
C7 C21 C22 119.2(6) . .
C20 C21 C22 109.3(5) . .
C23 C22 C21 120.5(5) . .
C23 C22 C39 120.1(6) . .
C21 C22 C39 106.8(6) . .
C22 C23 C42 120.7(6) . .
C22 C23 C24 120.2(5) . .
C42 C23 C24 107.0(6) . .
C8 C24 C25 120.3(5) . .
C8 C24 C23 119.7(6) . .
C25 C24 C23 108.5(5) . .
C26 C25 C24 119.5(5) . .
C26 C25 C43 119.6(5) . .
C24 C25 C43 108.2(5) . .
C25 C26 C27 120.3(5) . .
C25 C26 C10 119.8(5) . .
C27 C26 C10 108.8(5) . .
C45 C27 C26 119.7(6) . .
C45 C27 C28 120.5(5) . .
C26 C27 C28 108.6(5) . .
C29 C28 C27 119.8(5) . .
C29 C28 C11 120.2(5) . .
C27 C28 C11 108.1(5) . .
C28 C29 C30 119.2(5) . .
C28 C29 C47 120.0(5) . .
C30 C29 C47 108.4(5) . .
C13 C30 C29 120.3(5) . .
C13 C30 C31 119.8(5) . .
C29 C30 C31 108.3(5) . .
C32 C31 C48 120.6(5) . .
C32 C31 C30 119.7(5) . .
C48 C31 C30 107.2(5) . .
C31 C32 C15 120.5(5) . .
C31 C32 C33 119.8(5) . .
C15 C32 C33 108.0(5) . .
C50 C33 C32 119.9(5) . .
C50 C33 C34 120.1(5) . .
C32 C33 C34 107.7(5) . .
C35 C34 C16 120.6(5) . .
C35 C34 C33 120.0(5) . .
C16 C34 C33 107.7(5) . .
C34 C35 C36 119.9(5) . .
C34 C35 C52 120.0(5) . .
C36 C35 C52 108.1(5) . .
C18 C36 C35 120.3(6) . .
C18 C36 C37 119.7(6) . .
C35 C36 C37 108.0(5) . .
C38 C37 C36 119.8(5) . .
C38 C37 C53 120.5(6) . .
C36 C37 C53 107.7(5) . .
C37 C38 C39 119.8(6) . .
C37 C38 C20 120.3(6) . .
C39 C38 C20 107.7(5) . .
C40 C39 C38 120.4(6) . .
C40 C39 C22 119.6(6) . .
C38 C39 C22 108.3(5) . .
C39 C40 C41 120.4(6) . .
C39 C40 C54 119.3(6) . .
C41 C40 C54 108.1(5) . .
C42 C41 C56 120.4(6) . .
C42 C41 C40 120.0(6) . .
C56 C41 C40 107.7(5) . .
C41 C42 C43 119.8(6) . .
C41 C42 C23 119.2(6) . .
C43 C42 C23 108.3(5) . .
C44 C43 C42 120.3(6) . .
C44 C43 C25 119.8(6) . .
C42 C43 C25 108.1(5) . .
C43 C44 C45 120.5(5) . .
C43 C44 C57 119.8(6) . .
C45 C44 C57 108.4(5) . .
C27 C45 C44 120.1(5) . .
C27 C45 C46 119.2(5) . .
C44 C45 C46 108.0(5) . .
C47 C46 C58 120.3(6) . .
C47 C46 C45 120.3(5) . .
C58 C46 C45 107.6(5) . .
C46 C47 C48 120.1(5) . .
C46 C47 C29 120.3(5) . .
C48 C47 C29 107.9(5) . .
C49 C48 C47 119.9(5) . .
C49 C48 C31 119.2(5) . .
C47 C48 C31 108.2(5) . .
C48 C49 C50 120.3(5) . .
C48 C49 C59 119.8(5) . .
C50 C49 C59 108.3(5) . .
C33 C50 C51 119.9(5) . .
C33 C50 C49 120.1(5) . .
C51 C50 C49 108.0(5) . .
C52 C51 C60 120.6(6) . .
C52 C51 C50 120.2(5) . .
C60 C51 C50 107.7(5) . .
C51 C52 C53 119.7(6) . .
C51 C52 C35 119.8(5) . .
C53 C52 C35 107.7(5) . .
C54 C53 C52 120.2(5) . .
C54 C53 C37 119.3(6) . .
C52 C53 C37 108.5(6) . .
C53 C54 C40 120.8(6) . .
C53 C54 C55 120.0(5) . .
C40 C54 C55 107.5(6) . .
C60 C55 C56 120.6(6) . .
C60 C55 C54 119.4(6) . .
C56 C55 C54 107.7(5) . .
C57 C56 C55 119.8(6) . .
C57 C56 C41 119.7(6) . .
C55 C56 C41 109.0(6) . .
C56 C57 C58 120.0(6) . .
C56 C57 C44 120.0(6) . .
C58 C57 C44 107.8(5) . .
C59 C58 C46 120.6(5) . .
C59 C58 C57 119.1(5) . .
C46 C58 C57 108.2(5) . .
C58 C59 C60 121.5(5) . .
C58 C59 C49 119.3(5) . .
C60 C59 C49 106.7(5) . .
C55 C60 C51 120.1(5) . .
C55 C60 C59 118.9(5) . .
C51 C60 C59 109.3(5) . .
C62 C61 C65 107.4(4) . .
C62 C61 P1 122.0(4) . .
C65 C61 P1 130.1(4) . .
C62 C61 Fe1 70.1(3) . .
C65 C61 Fe1 69.3(3) . .
P1 C61 Fe1 119.9(3) . .
C63 C62 C61 107.5(5) . .
C63 C62 Fe1 70.4(3) . .
C61 C62 Fe1 68.6(3) . .
C64 C63 C62 108.5(5) . .
C64 C63 Fe1 69.9(4) . .
C62 C63 Fe1 68.8(3) . .
C65 C64 C63 108.4(5) . .
C65 C64 Fe1 68.4(3) . .
C63 C64 Fe1 70.0(3) . .
C64 C65 C61 108.2(5) . .
C64 C65 Fe1 71.1(3) . .
C61 C65 Fe1 69.0(3) . .
C70 C66 C67 106.8(5) . .
C70 C66 P2 127.5(4) . .
C67 C66 P2 125.3(4) . .
C70 C66 Fe1 69.9(3) . .
C67 C66 Fe1 69.1(3) . .
P2 C66 Fe1 120.3(3) . .
C68 C67 C66 107.7(5) . .
C68 C67 Fe1 70.8(3) . .
C66 C67 Fe1 69.1(3) . .
C69 C68 C67 109.0(5) . .
C69 C68 Fe1 70.2(3) . .
C67 C68 Fe1 68.3(3) . .
C68 C69 C70 107.6(5) . .
C68 C69 Fe1 69.8(3) . .
C70 C69 Fe1 68.6(3) . .
C66 C70 C69 109.0(5) . .
C66 C70 Fe1 69.0(3) . .
C69 C70 Fe1 70.6(3) . .
C72 C71 C76 118.6(5) . .
C72 C71 P1 120.2(4) . .
C76 C71 P1 120.8(4) . .
C73 C72 C71 120.3(6) . .
C72 C73 C74 120.5(6) . .
C75 C74 C73 119.8(6) . .
C76 C75 C74 119.9(6) . .
C75 C76 C71 120.9(6) . .
C78 C77 C82 118.8(5) . .
C78 C77 P1 122.4(4) . .
C82 C77 P1 118.6(4) . .
C77 C78 C79 120.0(5) . .
C80 C79 C78 121.2(6) . .
C79 C80 C81 119.5(5) . .
C82 C81 C80 119.6(5) . .
C81 C82 C77 121.0(5) . .
C84 C83 C88 119.0(5) . .
C84 C83 P2 118.4(4) . .
C88 C83 P2 122.1(4) . .
C85 C84 C83 120.2(6) . .
C84 C85 C86 119.6(6) . .
C87 C86 C85 120.8(6) . .
C88 C87 C86 120.0(6) . .
C87 C88 C83 120.4(6) . .
C90 C89 C94 119.3(5) . .
C90 C89 P2 120.9(4) . .
C94 C89 P2 119.7(4) . .
C91 C90 C89 119.8(5) . .
C90 C91 C92 120.9(5) . .
C93 C92 C91 119.3(5) . .
C92 C93 C94 120.4(5) . .
C89 C94 C93 120.3(5) . .
F2 P3 F5 90.2(4) . .
F2 P3 F4 91.2(4) . .
F5 P3 F4 88.8(2) . .
F2 P3 F1 177.9(4) . .
F5 P3 F1 90.1(4) . .
F4 P3 F1 90.9(4) . .
F2 P3 F6 90.6(4) . .
F5 P3 F6 179.2(4) . .
F4 P3 F6 91.4(2) . .
F1 P3 F6 89.1(4) . .
F2 P3 F3 89.8(4) . .
F5 P3 F3 91.7(2) . .
F4 P3 F3 178.8(4) . .
F1 P3 F3 88.1(4) . .
F6 P3 F3 88.0(2) . .
Cl1 C95 Cl2 112.3(5) . .
Cl3 C96 Cl4 111.3(4) . .
Cl5 C97 Cl5 86(2) 2_565 .
Cl5 C97 C97 67.7(18) 2_565 2_565
Cl5 C97 C97 18.3(5) . 2_565
Cl5 C97 Cl6 32.8(17) 2_565 .
Cl5 C97 Cl6 118.7(9) . .
C97 C97 Cl6 100.4(10) 2_565 .
C97 Cl5 Cl6 135(2) 2_565 2_565
C97 Cl5 C97 94(2) 2_565 .
Cl6 Cl5 C97 130.9(10) 2_565 .
C97 Cl5 Cl5 74.9(19) 2_565 2_565
Cl6 Cl5 Cl5 150.0(12) 2_565 2_565
C97 Cl5 Cl5 19.1(5) . 2_565
Cl5 Cl6 C97 12.2(6) 2_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 2.083(5) .
Pt1 C2 2.084(5) .
Pt1 P1 2.2639(12) .
Pt1 P2 2.2801(12) .
Fe1 C61 2.021(5) .
Fe1 C65 2.025(5) .
Fe1 C66 2.032(5) .
Fe1 C67 2.032(6) .
Fe1 C62 2.042(5) .
Fe1 C70 2.044(6) .
Fe1 C64 2.061(6) .
Fe1 C63 2.063(6) .
Fe1 C68 2.066(6) .
Fe1 C69 2.071(5) .
Li1 C2 2.249(11) .
Li1 C1 2.251(11) .
Li1 C12 2.351(12) .
Li1 C9 2.365(13) .
Li1 C6 2.381(12) .
Li1 C3 2.383(12) .
Li1 C10 2.594(14) .
Li1 C11 2.595(14) .
Li1 C5 2.630(13) .
Li1 C4 2.643(13) .
Li1 C13 2.768(12) .
Li1 C14 2.778(12) .
P1 C61 1.794(5) .
P1 C71 1.813(5) .
P1 C77 1.818(5) .
P2 C66 1.806(5) .
P2 C89 1.819(5) .
P2 C83 1.826(6) .
C1 C9 1.484(7) .
C1 C6 1.495(7) .
C1 C2 1.534(6) .
C2 C12 1.499(7) .
C2 C3 1.506(7) .
C3 C4 1.390(7) .
C3 C14 1.446(7) .
C4 C17 1.451(7) .
C4 C5 1.473(7) .
C5 C6 1.372(8) .
C5 C19 1.456(7) .
C6 C7 1.453(7) .
C7 C21 1.396(7) .
C7 C8 1.455(8) .
C8 C24 1.393(7) .
C8 C9 1.451(7) .
C9 C10 1.384(7) .
C10 C26 1.454(7) .
C10 C11 1.477(7) .
C11 C12 1.394(8) .
C11 C28 1.446(7) .
C12 C13 1.451(7) .
C13 C30 1.392(7) .
C13 C14 1.453(8) .
C14 C15 1.393(7) .
C15 C16 1.446(8) .
C15 C32 1.452(7) .
C16 C17 1.396(8) .
C16 C34 1.453(8) .
C17 C18 1.454(8) .
C18 C36 1.400(8) .
C18 C19 1.437(8) .
C19 C20 1.390(9) .
C20 C21 1.429(9) .
C20 C38 1.462(8) .
C21 C22 1.458(8) .
C22 C23 1.379(10) .
C22 C39 1.461(8) .
C23 C42 1.458(8) .
C23 C24 1.462(8) .
C24 C25 1.437(9) .
C25 C26 1.399(9) .
C25 C43 1.451(8) .
C26 C27 1.437(8) .
C27 C45 1.401(8) .
C27 C28 1.441(9) .
C28 C29 1.402(8) .
C29 C30 1.440(8) .
C29 C47 1.455(8) .
C30 C31 1.467(8) .
C31 C32 1.382(9) .
C31 C48 1.461(8) .
C32 C33 1.458(8) .
C33 C50 1.387(8) .
C33 C34 1.459(9) .
C34 C35 1.381(9) .
C35 C36 1.446(9) .
C35 C52 1.460(8) .
C36 C37 1.454(9) .
C37 C38 1.389(9) .
C37 C53 1.454(8) .
C38 C39 1.453(10) .
C39 C40 1.391(9) .
C40 C41 1.453(10) .
C40 C54 1.456(9) .
C41 C42 1.400(9) .
C41 C56 1.445(8) .
C42 C43 1.446(10) .
C43 C44 1.389(9) .
C44 C45 1.436(9) .
C44 C57 1.461(9) .
C45 C46 1.471(8) .
C46 C47 1.370(9) .
C46 C58 1.450(8) .
C47 C48 1.453(9) .
C48 C49 1.391(8) .
C49 C50 1.452(8) .
C49 C59 1.464(8) .
C50 C51 1.450(8) .
C51 C52 1.390(9) .
C51 C60 1.444(9) .
C52 C53 1.440(9) .
C53 C54 1.390(10) .
C54 C55 1.464(9) .
C55 C60 1.385(8) .
C55 C56 1.441(9) .
C56 C57 1.396(9) .
C57 C58 1.452(9) .
C58 C59 1.377(9) .
C59 C60 1.449(8) .
C61 C62 1.435(7) .
C61 C65 1.440(7) .
C62 C63 1.433(7) .
C63 C64 1.416(9) .
C64 C65 1.415(8) .
C66 C70 1.431(8) .
C66 C67 1.450(7) .
C67 C68 1.430(8) .
C68 C69 1.415(9) .
C69 C70 1.432(8) .
C71 C72 1.396(8) .
C71 C76 1.399(7) .
C72 C73 1.378(8) .
C73 C74 1.388(10) .
C74 C75 1.386(10) .
C75 C76 1.375(8) .
C77 C78 1.375(8) .
C77 C82 1.403(7) .
C78 C79 1.388(8) .
C79 C80 1.373(9) .
C80 C81 1.388(9) .
C81 C82 1.380(8) .
C83 C84 1.407(8) .
C83 C88 1.413(8) .
C84 C85 1.392(9) .
C85 C86 1.397(10) .
C86 C87 1.386(10) .
C87 C88 1.382(9) .
C89 C90 1.394(7) .
C89 C94 1.397(8) .
C90 C91 1.386(8) .
C91 C92 1.400(9) .
C92 C93 1.375(8) .
C93 C94 1.397(8) .
P3 F2 1.560(6) .
P3 F5 1.579(4) .
P3 F4 1.580(5) .
P3 F1 1.586(6) .
P3 F6 1.589(4) .
P3 F3 1.591(4) .
C95 Cl1 1.744(8) .
C95 Cl2 1.747(9) .
C96 Cl3 1.748(7) .
C96 Cl4 1.767(8) .
C97 Cl5 0.546(15) 2_565
C97 Cl5 1.610(12) .
C97 C97 1.74(2) 2_565
C97 Cl6 1.824(14) .
Cl5 C97 0.546(15) 2_565
Cl5 Cl6 1.396(12) 2_565
Cl5 Cl5 1.66(2) 2_565
Cl6 Cl5 1.396(12) 2_565
