#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/80/1508018.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_1508018
loop_
_publ_author_name
'Tan, Yuan-Zhi'
'Li, Jia'
'Zhu, Feng'
'Han, Xiao'
'Jiang, Wen-Sheng'
'Huang, Rong-Bin'
'Zheng, Zhiping'
'Qian, Zhuo-Zhen'
'Chen, Rui-Ting'
'Liao, Zhao-Jiang'
'Xie, Su-Yuan'
'Lu, Xin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Chlorofullerenes featuring triple sequentially fused pentagons.
;
_journal_issue                   4
_journal_name_full               'Nature chemistry'
_journal_page_first              269
_journal_page_last               273
_journal_paper_doi               10.1038/nchem.549
_journal_volume                  2
_journal_year                    2010
_chemical_formula_sum            'C285 H23 Cl40'
_chemical_formula_weight         4864.03
_chemical_name_common            '#4169-C66Cl10/4'
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.637(2)
_cell_angle_beta                 100.007(2)
_cell_angle_gamma                100.282(2)
_cell_formula_units_Z            1
_cell_length_a                   12.3298(3)
_cell_length_b                   18.7616(5)
_cell_length_c                   19.4956(5)
_cell_measurement_temperature    173(2)
_cell_volume                     4319.6(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29035
_diffrn_reflns_theta_full        62.30
_diffrn_reflns_theta_max         62.30
_diffrn_reflns_theta_min         3.72
_exptl_absorpt_coefficient_mu    6.372
_exptl_absorpt_correction_T_max  0.9390
_exptl_absorpt_correction_T_min  0.8831
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2413
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.255
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1485
_refine_ls_number_reflns         13294
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.269
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0705
_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)+(0.0257P)²+20.2545P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1518
_refine_ls_wR_factor_ref         0.1558
_reflns_number_gt                10849
_reflns_number_total             13294
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nchem.549-s5.cif
_cod_data_source_block           p
_cod_original_cell_volume        4319.62(19)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               1508018
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
C1A C 0.5910(7) 1.2614(5) 0.2815(4) 0.0227(18) Uani 0.71 1 d P A 1
C1B C 0.4548(17) 1.0985(11) 0.2468(11) 0.021(4) Uiso 0.29 1 d P A 2
C2A C 0.5427(7) 1.1367(4) 0.2259(4) 0.0206(17) Uani 0.71 1 d PD A 1
C2B C 0.5987(13) 1.2041(13) 0.2375(12) 0.033(5) Uiso 0.29 1 d PD A 2
C3A C 0.6761(7) 1.2494(4) 0.2328(4) 0.0226(18) Uani 0.71 1 d P A 1
C3B C 0.534(2) 1.0742(12) 0.1962(12) 0.029(5) Uiso 0.29 1 d P A 2
C4A C 0.4608(7) 1.0700(4) 0.1898(5) 0.0265(19) Uani 0.71 1 d PD A 1
C4B C 0.6194(17) 1.2840(12) 0.2392(13) 0.032(5) Uiso 0.29 1 d PD A 2
C5A C 0.6555(10) 1.1616(7) 0.2071(6) 0.022(3) Uani 0.71 1 d P A 1
C5B C 0.628(3) 1.1419(19) 0.206(2) 0.031(11) Uiso 0.29 1 d P A 2
C6A C 1.1105(6) 0.6312(5) 0.3493(4) 0.0279(17) Uani 0.85 1 d P . .
C6B C 1.141(4) 0.668(3) 0.356(3) 0.049(18) Uiso 0.15 1 d PD B 4
C7A C 1.0716(5) 0.6924(4) 0.3182(3) 0.0232(15) Uani 0.85 1 d PD B .
C7B C 1.022(3) 0.642(2) 0.311(2) 0.022(8) Uiso 0.15 1 d PD B 4
C8A C 0.9727(6) 0.6718(6) 0.2751(4) 0.0221(19) Uani 0.85 1 d PD . .
C8B C 0.995(4) 0.699(2) 0.283(3) 0.014(14) Uiso 0.15 1 d PD B 4
C9A C 0.9291(6) 0.5917(4) 0.2584(4) 0.0251(16) Uani 0.85 1 d P B .
C9B C 1.075(3) 0.767(2) 0.3002(16) 0.025(9) Uiso 0.15 1 d PD B 4
C10A C 1.1145(7) 0.7710(4) 0.3486(4) 0.0253(16) Uani 0.85 1 d P . .
C10B C 0.914(3) 0.574(3) 0.301(2) 0.036(11) Uiso 0.15 1 d PD B 4
C11A C 1.0015(6) 0.5657(4) 0.3195(4) 0.0302(17) Uani 0.85 1 d P B .
C11B C 1.157(4) 0.750(2) 0.362(2) 0.022(11) Uiso 0.15 1 d P B 4
C12 C 0.9451(5) 0.5622(3) 0.3814(3) 0.0259(13) Uani 1 1 d . . .
C13 C 1.0830(5) 0.8031(4) 0.5629(3) 0.0297(14) Uani 1 1 d . B .
C14 C 0.5025(5) 1.1887(3) 0.2582(3) 0.0252(13) Uani 1 1 d D . .
C15 C 0.7974(5) 0.5847(3) 0.2598(3) 0.0260(13) Uani 1 1 d D . .
C16 C 0.3962(5) 1.2065(3) 0.2482(3) 0.0230(13) Uani 1 1 d . A .
C17 C 1.0350(5) 0.8710(3) 0.3956(3) 0.0273(14) Uani 1 1 d . . .
C18 C 0.9395(5) 0.9242(3) 0.4813(3) 0.0284(14) Uani 1 1 d . . .
C19 C 0.5439(5) 0.6601(3) 0.3584(3) 0.0235(13) Uani 1 1 d . . .
C20 C 0.5382(5) 1.1036(3) 0.0814(3) 0.0280(14) Uani 1 1 d . A .
C21 C 0.6807(5) 0.5372(3) 0.4491(4) 0.0312(15) Uani 1 1 d . B .
C22 C 0.7585(5) 0.8968(3) 0.4141(3) 0.0257(13) Uani 1 1 d . . .
C23 C 0.4759(6) 1.3889(3) -0.0085(3) 0.0325(15) Uani 1 1 d . . .
C24 C 0.8834(5) 0.7132(3) 0.2709(3) 0.0200(12) Uani 1 1 d . B .
C25 C 0.8345(5) 0.8909(3) 0.3613(3) 0.0235(13) Uani 1 1 d . B .
C26 C 0.1797(6) 1.3560(4) -0.0219(4) 0.0362(16) Uani 1 1 d . . .
C27 C 0.3993(5) 1.0684(3) -0.0288(4) 0.0331(15) Uani 1 1 d . A .
C28 C 0.5013(5) 1.1126(3) 0.0083(3) 0.0289(14) Uani 1 1 d . . .
C29 C 0.6849(5) 0.5673(3) 0.5212(3) 0.0296(14) Uani 1 1 d . . .
C30 C 0.0608(5) 1.1446(4) 0.0680(4) 0.0355(16) Uani 1 1 d . A .
C31 C 0.5466(5) 0.7319(3) 0.3768(3) 0.0234(13) Uani 1 1 d . B .
C32 C 0.5418(5) 0.7134(4) 0.4995(3) 0.0289(14) Uani 1 1 d . B .
C33 C 0.0667(6) 1.1325(4) -0.0589(3) 0.0388(17) Uani 1 1 d . . .
C34 C 0.8261(5) 0.5376(3) 0.3774(3) 0.0262(13) Uani 1 1 d . B .
C35 C 0.4703(6) 1.2738(4) -0.0844(3) 0.0341(15) Uani 1 1 d . . .
C36 C 0.6154(5) 0.6156(4) 0.5367(3) 0.0293(14) Uani 1 1 d . B .
C37 C 0.6449(5) 1.2800(3) 0.1643(3) 0.0253(13) Uani 1 1 d . . .
C38 C 0.4784(5) 1.1989(4) -0.0770(3) 0.0300(14) Uani 1 1 d . . .
C39 C 0.9651(6) 0.8819(4) 0.5958(3) 0.0330(15) Uani 1 1 d . . .
C40 C 0.1708(5) 1.0571(4) 0.0952(4) 0.0358(16) Uani 1 1 d . A .
C41 C 1.0173(5) 0.6710(3) 0.5581(3) 0.0285(14) Uani 1 1 d . B .
C42 C 0.7704(6) 0.6912(4) 0.6272(3) 0.0340(16) Uani 1 1 d . B .
C43 C 1.0870(5) 0.8601(3) 0.5203(3) 0.0283(14) Uani 1 1 d . . .
C44 C 0.8006(5) 0.5827(4) 0.5570(3) 0.0285(14) Uani 1 1 d . B .
C45 C 0.3734(6) 1.1532(4) -0.1130(3) 0.0358(16) Uani 1 1 d . . .
C46 C 1.0105(5) 0.9051(3) 0.5366(3) 0.0278(14) Uani 1 1 d . B .
C47 C 0.3099(5) 1.3033(3) 0.2099(3) 0.0265(14) Uani 1 1 d . A .
C48 C 0.9507(6) 0.7621(4) 0.6356(3) 0.0323(15) Uani 1 1 d . . .
C49 C 0.5445(5) 0.7602(4) 0.4482(3) 0.0282(14) Uani 1 1 d . B .
C50 C 0.5980(5) 0.6312(3) 0.2996(3) 0.0230(13) Uani 1 1 d . B .
C51 C 0.5443(5) 0.6125(3) 0.4105(3) 0.0272(14) Uani 1 1 d . B .
C52 C 0.5966(5) 1.3141(3) 0.0290(3) 0.0254(13) Uani 1 1 d . A .
C53 C 0.6499(5) 0.5704(3) 0.3307(3) 0.0241(13) Uani 1 1 d . . .
C54 C 0.8439(5) 0.6431(4) 0.6076(3) 0.0305(15) Uani 1 1 d . . .
C55 C 1.0871(5) 0.7315(3) 0.5354(3) 0.0275(14) Uani 1 1 d . . .
C56 C 0.9015(5) 0.7859(3) 0.3016(3) 0.0242(13) Uani 1 1 d . . .
C57 C 0.6731(5) 0.8595(3) 0.5337(3) 0.0296(14) Uani 1 1 d . B .
C58 C 0.5275(6) 1.3303(3) -0.0314(3) 0.0305(15) Uani 1 1 d . . .
C60 C 0.6120(5) 0.5601(3) 0.3945(3) 0.0238(13) Uani 1 1 d . B .
C61 C 0.6103(5) 0.7916(3) 0.3433(3) 0.0239(13) Uani 1 1 d . . .
C62 C 0.0589(5) 1.2173(4) 0.0695(3) 0.0291(14) Uani 1 1 d . . .
C63 C 0.2149(6) 1.0690(4) -0.0859(4) 0.0380(17) Uani 1 1 d . . .
C64 C 0.4643(6) 1.0649(3) 0.1145(3) 0.0306(15) Uani 1 1 d . . .
C65 C 0.5420(5) 1.1816(3) -0.0163(3) 0.0249(13) Uani 1 1 d . A .
C66 C 0.7824(6) 0.9049(3) 0.5433(3) 0.0314(15) Uani 1 1 d . . .
C67 C 0.5931(5) 1.3652(3) 0.0889(4) 0.0316(15) Uani 1 1 d . . .
C68 C 0.6442(5) 1.1537(3) 0.1250(3) 0.0257(13) Uani 1 1 d . . .
C69 C 0.9508(5) 0.9060(3) 0.4090(3) 0.0274(14) Uani 1 1 d . B .
C70 C 0.9738(5) 0.6046(3) 0.5074(3) 0.0258(13) Uani 1 1 d . . .
C71 C 0.2124(5) 1.2506(3) 0.1774(3) 0.0249(13) Uani 1 1 d . . .
C72 C 0.2872(6) 1.4041(4) 0.0062(4) 0.0354(16) Uani 1 1 d . . .
C73 C 0.6060(5) 1.3456(4) 0.1566(3) 0.0322(15) Uani 1 1 d . A .
C74 C 1.1007(5) 0.8456(3) 0.4511(3) 0.0271(14) Uani 1 1 d . B .
C75 C 0.5143(6) 1.4092(3) 0.0663(4) 0.0348(16) Uani 1 1 d . A .
C76 C 1.1200(5) 0.7212(3) 0.4665(3) 0.0270(14) Uani 1 1 d . B .
C77 C 1.1202(5) 0.6442(3) 0.4331(3) 0.0251(13) Uani 1 1 d . B .
C78 C 0.9529(5) 0.6872(4) 0.6092(3) 0.0279(14) Uani 1 1 d . B .
C79 C 0.1439(6) 1.1166(4) -0.1036(4) 0.0386(17) Uani 1 1 d . . .
C80 C 0.3645(6) 1.3876(4) -0.0392(4) 0.0364(16) Uani 1 1 d . . .
C81 C 0.1848(6) 1.1817(4) -0.1298(3) 0.0382(17) Uani 1 1 d . . .
C82 C 0.2113(5) 1.1743(4) 0.1770(3) 0.0315(15) Uani 1 1 d . A .
C83 C 0.2729(6) 1.0432(4) 0.1241(4) 0.0387(17) Uani 1 1 d . . .
C84 C 0.3311(6) 1.3816(3) 0.1946(3) 0.0311(15) Uani 1 1 d . . .
C85 C 0.8554(6) 0.8827(3) 0.6001(3) 0.0319(15) Uani 1 1 d . B .
C86 C 0.0655(5) 1.1013(4) 0.0036(4) 0.0371(16) Uani 1 1 d . A .
C87 C 0.3328(5) 1.0891(4) -0.0888(3) 0.0329(15) Uani 1 1 d . . .
C88 C 1.1269(5) 0.7778(3) 0.4277(3) 0.0240(13) Uani 1 1 d . B .
C89 C 0.6555(5) 0.8519(3) 0.4051(3) 0.0260(14) Uani 1 1 d . B .
C90 C 0.6394(5) 1.2290(3) 0.1083(3) 0.0242(13) Uani 1 1 d . A .
C91 C 0.5341(5) 1.3660(4) 0.2023(3) 0.0343(16) Uani 1 1 d . . .
C92 C 0.4487(6) 1.4001(4) 0.1772(3) 0.0345(16) Uani 1 1 d . A .
C93 C 0.6109(5) 0.8333(3) 0.4651(3) 0.0275(14) Uani 1 1 d . . .
C94 C 0.3513(6) 1.0330(3) 0.0793(4) 0.0344(16) Uani 1 1 d . A .
C95 C 0.3222(6) 1.0306(4) 0.0084(4) 0.0367(16) Uani 1 1 d . . .
C96 C 0.6597(5) 0.6784(4) 0.5916(3) 0.0316(15) Uani 1 1 d . . .
C97 C 0.3579(6) 1.2745(4) -0.1184(3) 0.0353(16) Uani 1 1 d . . .
C98 C 0.1177(5) 1.3242(4) 0.0235(3) 0.0312(15) Uani 1 1 d . . .
C99 C 0.1585(5) 1.3409(4) 0.0982(3) 0.0309(15) Uani 1 1 d . . .
C100 C 0.8238(5) 0.9225(3) 0.4836(3) 0.0287(14) Uani 1 1 d . B .
C101 C 1.0127(5) 0.8186(4) 0.6129(3) 0.0302(15) Uani 1 1 d . B .
C102 C 1.0137(5) 0.5968(3) 0.4427(3) 0.0263(13) Uani 1 1 d . B .
C103 C 1.0248(5) 0.8271(3) 0.3246(3) 0.0316(15) Uani 1 1 d D B .
C104 C 0.2561(5) 1.3879(3) 0.1255(3) 0.0301(15) Uani 1 1 d . . .
C105 C 0.7920(5) 0.5322(3) 0.4411(3) 0.0287(14) Uani 1 1 d . . .
C106 C 0.8367(6) 0.7648(4) 0.6447(3) 0.0331(15) Uani 1 1 d . B .
C107 C 0.6746(6) 0.8104(4) 0.5855(3) 0.0313(15) Uani 1 1 d . . .
C108 C 0.0585(5) 1.2498(4) 0.0059(3) 0.0318(15) Uani 1 1 d . . .
C109 C 0.7885(6) 0.8239(4) 0.6256(3) 0.0325(15) Uani 1 1 d . B .
C110 C 0.8681(6) 0.5632(3) 0.5070(3) 0.0291(14) Uani 1 1 d . B .
C111 C 0.6935(5) 0.6895(3) 0.2886(3) 0.0208(12) Uani 1 1 d . . .
C112 C 0.1158(5) 1.2749(4) 0.1328(3) 0.0323(15) Uani 1 1 d . . .
C113 C 0.2099(6) 1.0347(4) -0.0234(4) 0.0379(17) Uani 1 1 d . A .
C114 C 0.7063(5) 0.7641(3) 0.3141(3) 0.0196(12) Uani 1 1 d . B .
C115 C 0.1179(5) 1.1157(4) 0.1303(4) 0.0333(15) Uani 1 1 d . . .
C116 C 0.4395(6) 1.4232(3) 0.1092(4) 0.0357(16) Uani 1 1 d . . .
C117 C 0.1378(6) 1.0506(4) 0.0208(4) 0.0389(17) Uani 1 1 d . . .
C118 C 0.2968(6) 1.1994(4) -0.1361(3) 0.0346(16) Uani 1 1 d . . .
C119 C 0.3276(5) 1.0753(4) 0.1991(4) 0.0427(19) Uani 1 1 d D A .
C120 C 0.4012(5) 1.2799(3) 0.2458(3) 0.0292(14) Uani 1 1 d . . .
C121 C 0.7838(5) 0.6649(3) 0.2656(3) 0.0228(13) Uani 1 1 d . B .
C122 C 0.0600(5) 1.2075(4) -0.0573(3) 0.0378(17) Uani 1 1 d . . .
C123 C 0.3054(5) 1.1526(4) 0.2113(4) 0.0323(15) Uani 1 1 d . . .
C124 C 0.6119(5) 0.7390(4) 0.5687(3) 0.0307(15) Uani 1 1 d . B .
C125 C 0.3049(6) 1.3297(4) -0.0950(3) 0.0374(16) Uani 1 1 d . . .
C126 C 0.6047(5) 1.2414(3) 0.0372(3) 0.0241(13) Uani 1 1 d . . .
C127 C 0.1315(6) 1.2386(4) -0.1035(3) 0.0374(16) Uani 1 1 d . . .
C128 C 0.3240(6) 1.4193(3) 0.0783(4) 0.0330(15) Uani 1 1 d . A .
C129 C 0.5213(5) 1.3235(3) 0.2626(3) 0.0358(16) Uani 1 1 d D A .
C130 C 0.8114(5) 0.8125(3) 0.3211(3) 0.0223(13) Uani 1 1 d . B .
C131 C 0.1894(6) 1.3102(4) -0.0864(3) 0.0383(17) Uani 1 1 d . . .
C132 C 0.5430(5) 0.6382(4) 0.4800(3) 0.0295(14) Uani 1 1 d . . .
C136 C 0.5947(10) 1.0506(7) 0.5237(6) 0.091(3) Uiso 1 1 d D . .
H13F H 0.6607 1.0855 0.5403 0.109 Uiso 1 1 calc R . .
C137 C 0.5366(10) 1.0252(7) 0.5728(6) 0.094(4) Uiso 1 1 d D . .
H13G H 0.5621 1.0428 0.6206 0.113 Uiso 1 1 calc R . .
C138 C 1.2351(11) 0.7987(7) 0.1125(7) 0.103(4) Uiso 1 1 d . . .
H13A H 1.2164 0.8257 0.0748 0.155 Uiso 1 1 calc R . .
H13B H 1.3133 0.8147 0.1337 0.155 Uiso 1 1 calc R . .
H13C H 1.1904 0.8070 0.1473 0.155 Uiso 1 1 calc R . .
Cl1A Cl 0.4995(2) 0.98895(11) 0.22010(13) 0.0351(5) Uani 0.71 1 d P A 1
Cl1B Cl 0.7632(5) 1.3184(3) 0.2960(3) 0.0378(13) Uiso 0.29 1 d P A 2
Cl2A Cl 0.81658(17) 1.29210(13) 0.27225(11) 0.0327(5) Uani 0.71 1 d P A 1
Cl2B Cl 0.5688(6) 0.9891(3) 0.2088(3) 0.0402(14) Uiso 0.29 1 d P A 2
Cl3A Cl 0.65047(17) 1.26497(12) 0.37155(10) 0.0297(5) Uani 0.71 1 d P A 1
Cl3B Cl 0.4869(5) 1.0694(3) 0.3302(3) 0.0372(13) Uiso 0.29 1 d P . 2
Cl4A Cl 1.06358(17) 0.87615(12) 0.25868(10) 0.0323(4) Uani 0.85 1 d P . .
Cl4B Cl 0.7526(17) 0.5345(12) 0.1747(7) 0.063(8) Uiso 0.15 1 d PD B 3
Cl5A Cl 0.7139(3) 0.52945(11) 0.17956(10) 0.0279(5) Uani 0.85 1 d P B .
Cl5B Cl 1.0360(10) 0.9048(6) 0.2706(6) 0.028(3) Uiso 0.15 1 d PD B 3
Cl6A Cl 0.95872(15) 0.56122(10) 0.17471(9) 0.0320(4) Uani 0.85 1 d P . .
Cl6B Cl 1.1416(8) 0.7785(5) 0.2258(5) 0.031(2) Uiso 0.15 1 d PD B 3
Cl7A Cl 1.25031(15) 0.80261(11) 0.32684(10) 0.0358(4) Uani 0.85 1 d P B .
Cl7B Cl 0.9685(9) 0.4961(6) 0.2602(6) 0.034(2) Uiso 0.15 1 d P B 3
Cl8A Cl 0.5436(3) 1.39232(18) 0.34116(14) 0.0273(7) Uani 0.71 1 d P A 1
Cl8B Cl 0.2441(7) 1.0277(5) 0.2595(4) 0.035(3) Uiso 0.29 1 d PD A 2
Cl9A Cl 0.2824(3) 1.02258(14) 0.26091(14) 0.0319(6) Uani 0.71 1 d PD A 1
Cl9B Cl 0.5719(8) 1.3808(5) 0.3434(5) 0.033(3) Uiso 0.29 1 d PD A 2
Cl10 Cl 1.03342(16) 0.47746(10) 0.29641(10) 0.0348(4) Uani 0.85 1 d P . .
Cl11 Cl 0.75908(13) 1.12152(10) 0.25341(9) 0.0396(4) Uani 1 1 d . . .
Cl12 Cl 0.01856(13) 1.07962(10) 0.18348(10) 0.0424(4) Uani 1 1 d . A .
Cl13 Cl 1.23436(13) 0.61349(9) 0.32134(9) 0.0365(4) Uani 1 1 d D B .
Cl14 Cl 0.81924(14) 0.95449(8) 0.29910(9) 0.0362(4) Uani 1 1 d . . .
Cl15 Cl 0.30599(14) 1.44406(8) 0.26531(8) 0.0357(4) Uani 1 1 d . . .
Cl16 Cl 0.01660(14) 1.29454(11) 0.18807(9) 0.0433(4) Uani 1 1 d . . .
Cl17 Cl 0.76641(13) 1.12697(10) 0.09800(9) 0.0386(4) Uani 1 1 d . A .
Cl18 Cl 0.49387(12) 0.60191(8) 0.21860(8) 0.0292(3) Uani 1 1 d . . .
Cl19 Cl 0.51888(13) 0.81933(9) 0.27198(8) 0.0319(3) Uani 1 1 d . B .
Cl20 Cl 1.24225(13) 0.61663(9) 0.47912(9) 0.0368(4) Uani 1 1 d . . .
Cl21 Cl 1.3033(9) 0.7870(5) 0.3696(6) 0.030(2) Uiso 0.15 1 d P B 3
C133 C 1.1614(7) 0.5676(3) 0.0368(5) 0.108(4) Uiso 1 1 d G . .
H13D H 1.1446 0.5175 0.0210 0.130 Uiso 1 1 calc R . .
C134 C 1.2074(7) 0.5941(4) 0.1074(4) 0.107(4) Uiso 1 1 d G . .
H13E H 1.2214 0.5616 0.1388 0.128 Uiso 1 1 calc R . .
C135 C 1.2324(7) 0.6691(4) 0.1309(3) 0.106(4) Uiso 1 1 d G . .
H13H H 1.2632 0.6868 0.1782 0.127 Uiso 1 1 calc R . .
C140 C 1.2114(6) 0.7176(3) 0.0839(4) 0.078(3) Uiso 1 1 d G . .
C141 C 1.1654(6) 0.6912(4) 0.0133(3) 0.074(3) Uiso 1 1 d G . .
H14A H 1.1513 0.7237 -0.0181 0.089 Uiso 1 1 calc R . .
C142 C 1.1404(6) 0.6162(4) -0.0102(3) 0.092(3) Uiso 1 1 d G . .
H14B H 1.1096 0.5985 -0.0575 0.111 Uiso 1 1 calc R . .
C139 C 0.4367(11) 0.9715(7) 0.5488(7) 0.099(4) Uiso 1 1 d . . .
C143 C 0.3774(19) 0.9408(12) 0.5990(12) 0.082(6) Uiso 0.50 1 d P . .
H14F H 0.3114 0.9059 0.5747 0.124 Uiso 0.50 1 calc PR . .
H14I H 0.3558 0.9792 0.6274 0.124 Uiso 0.50 1 calc PR . .
H14G H 0.4252 0.9169 0.6288 0.124 Uiso 0.50 1 calc PR . .
C144 C 0.7522(5) 0.5556(3) 0.3195(3) 0.0261(13) Uani 1 1 d . B .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 '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
C14 C1A C3A 100.7(6) . .
C14 C1A C129 104.0(6) . .
C3A C1A C129 114.1(7) . .
C14 C1A Cl3A 107.5(5) . .
C3A C1A Cl3A 112.1(6) . .
C129 C1A Cl3A 116.5(5) . .
C3B C1B C119 105.1(15) . .
C3B C1B C14 98.6(13) . .
C119 C1B C14 111.5(12) . .
C3B C1B Cl3B 111.4(14) . .
C119 C1B Cl3B 120.8(12) . .
C14 C1B Cl3B 107.2(11) . .
C14 C2A C4A 116.8(7) . .
C14 C2A C5A 115.1(7) . .
C4A C2A C5A 124.1(8) . .
C14 C2B C5B 112(2) . .
C14 C2B C4B 104.2(15) . .
C5B C2B C4B 141(2) . .
C37 C3A C1A 110.1(7) . .
C37 C3A C5A 103.5(6) . .
C1A C3A C5A 106.8(7) . .
C37 C3A Cl2A 107.8(5) . .
C1A C3A Cl2A 113.0(5) . .
C5A C3A Cl2A 115.1(6) . .
C5B C3B C1B 103(2) . .
C5B C3B C64 106(2) . .
C1B C3B C64 107.6(17) . .
C5B C3B Cl2B 119(2) . .
C1B C3B Cl2B 112.8(15) . .
C64 C3B Cl2B 107.0(13) . .
C64 C4A C2A 106.9(7) . .
C64 C4A C119 108.1(6) . .
C2A C4A C119 111.6(6) . .
C64 C4A Cl1A 107.9(5) . .
C2A C4A Cl1A 111.2(6) . .
C119 C4A Cl1A 111.1(5) . .
C2B C4B C37 93.9(14) . .
C2B C4B C129 115.0(15) . .
C37 C4B C129 122.8(15) . .
C2B C4B Cl1B 104.7(15) . .
C37 C4B Cl1B 102.2(11) . .
C129 C4B Cl1B 115.0(12) . .
C2A C5A C68 110.5(8) . .
C2A C5A C3A 100.5(8) . .
C68 C5A C3A 104.5(8) . .
C2A C5A Cl11 111.1(8) . .
C68 C5A Cl11 116.7(7) . .
C3A C5A Cl11 112.2(7) . .
C2B C5B C3B 112(3) . .
C2B C5B C68 109(3) . .
C3B C5B C68 105(2) . .
C2B C5B Cl11 114(2) . .
C3B C5B Cl11 109(2) . .
C68 C5B Cl11 108(2) . .
C6B C6A C7B 97(5) . .
C6B C6A C7A 55(5) . .
C7B C6A C7A 42.0(17) . .
C6B C6A C77 82(5) . .
C7B C6A C77 117.6(18) . .
C7A C6A C77 110.4(6) . .
C6B C6A C11A 155(4) . .
C7B C6A C11A 58.7(18) . .
C7A C6A C11A 100.7(6) . .
C77 C6A C11A 105.2(6) . .
C6B C6A Cl13 83.1(17) . .
C7B C6A Cl13 127.2(18) . .
C7A C6A Cl13 111.5(5) . .
C77 C6A Cl13 114.7(5) . .
C11A C6A Cl13 113.4(6) . .
C6A C6B C7A 97(6) . .
C6A C6B C11B 157(6) . .
C7A C6B C11B 63(3) . .
C6A C6B C7B 56(4) . .
C7A C6B C7B 41(2) . .
C11B C6B C7B 102(4) . .
C6A C6B C77 73(5) . .
C7A C6B C77 122(2) . .
C11B C6B C77 108(3) . .
C7B C6B C77 101(3) . .
C6A C6B Cl13 74.5(12) . .
C7A C6B Cl13 123(4) . .
C11B C6B Cl13 125(4) . .
C7B C6B Cl13 109(3) . .
C77 C6B Cl13 109(3) . .
C6A C6B C10A 140(5) . .
C7A C6B C10A 46.5(17) . .
C11B C6B C10A 17(2) . .
C7B C6B C10A 85(2) . .
C77 C6B C10A 110.7(15) . .
Cl13 C6B C10A 134(3) . .
C7B C7A C8B 78(2) . .
C7B C7A C6B 86(4) . .
C8B C7A C6B 164(4) . .
C7B C7A C8A 55(2) . .
C8B C7A C8A 23.3(19) . .
C6B C7A C8A 141(3) . .
C7B C7A C11B 150(3) . .
C8B C7A C11B 126(3) . .
C6B C7A C11B 69(4) . .
C8A C7A C11B 149(2) . .
C7B C7A C6A 58(2) . .
C8B C7A C6A 136(2) . .
C6B C7A C6A 28(3) . .
C8A C7A C6A 112.8(8) . .
C11B C7A C6A 97(2) . .
C7B C7A C9B 143(3) . .
C8B C7A C9B 65(3) . .
C6B C7A C9B 130(4) . .
C8A C7A C9B 88.3(19) . .
C11B C7A C9B 63(2) . .
C6A C7A C9B 158.7(19) . .
C7B C7A C10A 157(2) . .
C8B C7A C10A 97(2) . .
C6B C7A C10A 97(3) . .
C8A C7A C10A 120.0(8) . .
C11B C7A C10A 28.9(19) . .
C6A C7A C10A 124.1(7) . .
C9B C7A C10A 38.1(15) . .
C7A C7B C8A 77(2) . .
C7A C7B C6A 80(3) . .
C8A C7B C6A 156(4) . .
C7A C7B C8B 55(3) . .
C8A C7B C8B 23(2) . .
C6A C7B C8B 134(4) . .
C7A C7B C11A 152(4) . .
C8A C7B C11A 130(4) . .
C6A C7B C11A 72.8(17) . .
C8B C7B C11A 153(4) . .
C7A C7B C9A 141(3) . .
C8A C7B C9A 67(2) . .
C6A C7B C9A 132(3) . .
C8B C7B C9A 90(3) . .
C11A C7B C9A 62.9(17) . .
C7A C7B C6B 53(3) . .
C8A C7B C6B 130(4) . .
C6A C7B C6B 27(2) . .
C8B C7B C6B 107(4) . .
C11A C7B C6B 100(3) . .
C9A C7B C6B 156(3) . .
C7A C7B C10B 164(4) . .
C8A C7B C10B 91(3) . .
C6A C7B C10B 113(2) . .
C8B C7B C10B 113(4) . .
C11A C7B C10B 41.8(15) . .
C9A C7B C10B 35.4(18) . .
C6B C7B C10B 139(4) . .
C8B C8A C7B 102(5) . .
C8B C8A C7A 55(5) . .
C7B C8A C7A 48(2) . .
C8B C8A C24 77(5) . .
C7B C8A C24 142(2) . .
C7A C8A C24 125.0(8) . .
C8B C8A C9A 170(5) . .
C7B C8A C9A 69(2) . .
C7A C8A C9A 115.4(8) . .
C24 C8A C9A 112.5(6) . .
C8B C8A C9B 9(6) . .
C7B C8A C9B 97(3) . .
C7A C8A C9B 49.3(14) . .
C24 C8A C9B 85.6(13) . .
C9A C8A C9B 161.9(13) . .
C8B C8A C10B 150(5) . .
C7B C8A C10B 55(2) . .
C7A C8A C10B 102.2(9) . .
C24 C8A C10B 108.2(10) . .
C9A C8A C10B 27.3(14) . .
C9B C8A C10B 149.0(15) . .
C8A C8B C7A 101(5) . .
C8A C8B C7B 55(4) . .
C7A C8B C7B 48(2) . .
C8A C8B C9B 168(8) . .
C7A C8B C9B 70(3) . .
C7B C8B C9B 118(4) . .
C8A C8B C24 81(6) . .
C7A C8B C24 151(4) . .
C7B C8B C24 123(4) . .
C9B C8B C24 110(3) . .
C8A C8B C10A 148(6) . .
C7A C8B C10A 49(2) . .
C7B C8B C10A 94(3) . .
C9B C8B C10A 28.0(17) . .
C24 C8B C10A 119(3) . .
C8A C8B C9A 7(4) . .
C7A C8B C9A 95(2) . .
C7B C8B C9A 48(2) . .
C9B C8B C9A 161(3) . .
C24 C8B C9A 89(2) . .
C10A C8B C9A 142(2) . .
C10B C9A C8A 108(3) . .
C10B C9A C7B 80(3) . .
C8A C9A C7B 43.6(13) . .
C10B C9A C11A 46.3(16) . .
C8A C9A C11A 100.3(6) . .
C7B C9A C11A 56.9(13) . .
C10B C9A C15 70.7(14) . .
C8A C9A C15 102.7(5) . .
C7B C9A C15 124.3(15) . .
C11A C9A C15 116.8(6) . .
C10B C9A Cl6A 141(3) . .
C8A C9A Cl6A 107.7(5) . .
C7B C9A Cl6A 117.6(15) . .
C11A C9A Cl6A 112.4(5) . .
C15 C9A Cl6A 114.8(5) . .
C10B C9A Cl7B 71(3) . .
C8A C9A Cl7B 144.8(6) . .
C7B C9A Cl7B 104.1(14) . .
C11A C9A Cl7B 52.5(5) . .
C15 C9A Cl7B 109.5(5) . .
Cl6A C9A Cl7B 71.3(4) . .
C10B C9A C8B 108(3) . .
C8A C9A C8B 2.6(14) . .
C7B C9A C8B 41.4(11) . .
C11A C9A C8B 98.2(13) . .
C15 C9A C8B 105.2(15) . .
Cl6A C9A C8B 107.2(15) . .
Cl7B C9A C8B 142.2(14) . .
C10A C9B C8B 108(3) . .
C10A C9B C103 87(2) . .
C8B C9B C103 112(3) . .
C10A C9B C7A 71(2) . .
C8B C9B C7A 44.6(19) . .
C103 C9B C7A 132.5(11) . .
C10A C9B C11B 22(2) . .
C8B C9B C11B 100(3) . .
C103 C9B C11B 109(3) . .
C7A C9B C11B 57(2) . .
C10A C9B C8A 108(2) . .
C8B C9B C8A 3(2) . .
C103 C9B C8A 115(2) . .
C7A C9B C8A 42.4(11) . .
C11B C9B C8A 99(2) . .
C10A C9B Cl7A 60(2) . .
C8B C9B Cl7A 138(3) . .
C103 C9B Cl7A 108(2) . .
C7A C9B Cl7A 97(2) . .
C11B C9B Cl7A 52(2) . .
C8A C9B Cl7A 135(2) . .
C11B C10A C9B 128(4) . .
C11B C10A C7A 72(4) . .
C9B C10A C7A 71(2) . .
C11B C10A C88 71(4) . .
C9B C10A C88 156.3(18) . .
C7A C10A C88 108.1(6) . .
C11B C10A C103 173(4) . .
C9B C10A C103 58(2) . .
C7A C10A C103 114.4(6) . .
C88 C10A C103 104.1(5) . .
C11B C10A Cl7A 67(4) . .
C9B C10A Cl7A 92.5(18) . .
C7A C10A Cl7A 109.8(5) . .
C88 C10A Cl7A 109.5(5) . .
C103 C10A Cl7A 110.7(5) . .
C11B C10A C8B 106(4) . .
C9B C10A C8B 44(2) . .
C7A C10A C8B 34.0(11) . .
C88 C10A C8B 123.2(14) . .
C103 C10A C8B 80.7(12) . .
Cl7A C10A C8B 121.6(15) . .
C11B C10A C6B 37(4) . .
C9B C10A C6B 104(3) . .
C7A C10A C6B 36.3(19) . .
C88 C10A C6B 84.0(17) . .
C103 C10A C6B 149.0(18) . .
Cl7A C10A C6B 93.9(15) . .
C8B C10A C6B 70(2) . .
C11B C10A Cl21 43(4) . .
C9B C10A Cl21 118.0(18) . .
C7A C10A Cl21 105.7(6) . .
C88 C10A Cl21 85.5(5) . .
C103 C10A Cl21 132.6(5) . .
Cl7A C10A Cl21 27.9(3) . .
C8B C10A Cl21 132.4(15) . .
C6B C10A Cl21 77.2(17) . .
C9A C10B C11A 95(4) . .
C9A C10B C15 74.1(17) . .
C11A C10B C15 168(5) . .
C9A C10B C12 155(3) . .
C11A C10B C12 64.0(18) . .
C15 C10B C12 128(3) . .
C9A C10B C7B 64(3) . .
C11A C10B C7B 60(2) . .
C15 C10B C7B 117(3) . .
C12 C10B C7B 92(2) . .
C9A C10B C8A 45(2) . .
C11A C10B C8A 92(3) . .
C15 C10B C8A 83.9(18) . .
C12 C10B C8A 119(2) . .
C7B C10B C8A 33.7(16) . .
C10B C11A C7B 78(3) . .
C10B C11A C12 74(3) . .
C7B C11A C12 105.0(16) . .
C10B C11A C9A 39(3) . .
C7B C11A C9A 60.2(16) . .
C12 C11A C9A 111.2(6) . .
C10B C11A Cl7B 86(2) . .
C7B C11A Cl7B 128.3(17) . .
C12 C11A Cl7B 117.0(6) . .
C9A C11A Cl7B 76.9(6) . .
C10B C11A C6A 125(2) . .
C7B C11A C6A 48.5(17) . .
C12 C11A C6A 102.5(5) . .
C9A C11A C6A 106.4(6) . .
Cl7B C11A C6A 136.4(7) . .
C10B C11A Cl10 119(2) . .
C7B C11A Cl10 146.1(16) . .
C12 C11A Cl10 107.8(5) . .
C9A C11A Cl10 113.7(5) . .
Cl7B C11A Cl10 37.5(4) . .
C6A C11A Cl10 114.7(5) . .
C10A C11B C7A 79(4) . .
C10A C11B C88 80(4) . .
C7A C11B C88 114(3) . .
C10A C11B C6B 126(5) . .
C7A C11B C6B 48(3) . .
C88 C11B C6B 108(3) . .
C10A C11B C9B 30(3) . .
C7A C11B C9B 60(2) . .
C88 C11B C9B 109(3) . .
C6B C11B C9B 107(4) . .
C10A C11B Cl7A 89(4) . .
C7A C11B Cl7A 120(3) . .
C88 C11B Cl7A 121(3) . .
C6B C11B Cl7A 124(3) . .
C9B C11B Cl7A 81(2) . .
C102 C12 C34 121.1(6) . .
C102 C12 C11A 112.9(6) . .
C34 C12 C11A 125.1(6) . .
C102 C12 C10B 139.2(17) . .
C34 C12 C10B 87.0(14) . .
C11A C12 C10B 42.2(13) . .
C55 C13 C43 121.3(6) . .
C55 C13 C101 122.3(6) . .
C43 C13 C101 107.0(6) . .
C2B C14 C2A 59.4(11) . .
C2B C14 C16 140.4(12) . .
C2A C14 C16 132.2(6) . .
C2B C14 C1A 54.3(11) . .
C2A C14 C1A 112.4(6) . .
C16 C14 C1A 107.6(5) . .
C2B C14 C1B 110.8(13) . .
C2A C14 C1B 51.8(8) . .
C16 C14 C1B 95.3(8) . .
C1A C14 C1B 156.2(9) . .
C144 C15 C121 105.4(5) . .
C144 C15 C10B 84(2) . .
C121 C15 C10B 113.9(18) . .
C144 C15 C9A 119.6(5) . .
C121 C15 C9A 102.6(5) . .
C10B C15 C9A 35.2(18) . .
C144 C15 Cl4B 119.4(8) . .
C121 C15 Cl4B 114.8(9) . .
C10B C15 Cl4B 115(2) . .
C9A C15 Cl4B 94.1(8) . .
C144 C15 Cl5A 107.0(4) . .
C121 C15 Cl5A 112.4(4) . .
C10B C15 Cl5A 126.8(18) . .
C9A C15 Cl5A 109.8(4) . .
Cl4B C15 Cl5A 16.0(7) . .
C120 C16 C123 122.7(6) . .
C120 C16 C14 112.4(5) . .
C123 C16 C14 117.6(6) . .
C69 C17 C74 119.7(6) . .
C69 C17 C103 120.0(6) . .
C74 C17 C103 113.6(6) . .
C46 C18 C100 120.5(6) . .
C46 C18 C69 121.2(6) . .
C100 C18 C69 109.4(5) . .
C31 C19 C51 120.1(5) . .
C31 C19 C50 122.9(5) . .
C51 C19 C50 110.0(5) . .
C64 C20 C28 119.1(6) . .
C64 C20 C68 119.4(6) . .
C28 C20 C68 119.3(6) . .
C60 C21 C105 117.8(6) . .
C60 C21 C29 119.7(6) . .
C105 C21 C29 108.3(6) . .
C89 C22 C100 119.9(6) . .
C89 C22 C25 122.2(5) . .
C100 C22 C25 110.5(5) . .
C80 C23 C58 118.9(6) . .
C80 C23 C75 120.2(6) . .
C58 C23 C75 108.1(6) . .
C121 C24 C56 122.6(5) . .
C121 C24 C8B 128.6(17) . .
C56 C24 C8B 101.7(19) . .
C121 C24 C8A 107.9(6) . .
C56 C24 C8A 122.3(6) . .
C8B C24 C8A 21.3(15) . .
C22 C25 C69 102.1(5) . .
C22 C25 C130 111.0(5) . .
C69 C25 C130 108.3(5) . .
C22 C25 Cl14 112.0(4) . .
C69 C25 Cl14 113.8(4) . .
C130 C25 Cl14 109.4(4) . .
C98 C26 C72 119.7(6) . .
C98 C26 C131 118.8(7) . .
C72 C26 C131 108.0(6) . .
C28 C27 C95 120.2(6) . .
C28 C27 C87 122.5(6) . .
C95 C27 C87 106.9(6) . .
C27 C28 C20 117.5(6) . .
C27 C28 C65 118.2(6) . .
C20 C28 C65 120.0(5) . .
C36 C29 C44 119.6(6) . .
C36 C29 C21 120.1(6) . .
C44 C29 C21 107.5(6) . .
C62 C30 C86 119.8(6) . .
C62 C30 C115 121.8(6) . .
C86 C30 C115 110.7(6) . .
C19 C31 C49 120.1(6) . .
C19 C31 C61 122.9(5) . .
C49 C31 C61 109.6(5) . .
C49 C32 C132 119.0(6) . .
C49 C32 C124 118.7(6) . .
C132 C32 C124 108.9(6) . .
C86 C33 C122 118.8(6) . .
C86 C33 C79 120.2(7) . .
C122 C33 C79 108.3(6) . .
C105 C34 C144 119.9(6) . .
C105 C34 C12 116.1(5) . .
C144 C34 C12 116.6(5) . .
C58 C35 C97 119.6(6) . .
C58 C35 C38 119.8(6) . .
C97 C35 C38 108.6(6) . .
C29 C36 C132 119.9(6) . .
C29 C36 C96 119.3(6) . .
C132 C36 C96 108.1(6) . .
C90 C37 C73 121.7(6) . .
C90 C37 C3A 110.1(6) . .
C73 C37 C3A 127.2(6) . .
C90 C37 C4B 138.9(10) . .
C73 C37 C4B 89.8(9) . .
C3A C37 C4B 39.9(8) . .
C65 C38 C45 122.0(6) . .
C65 C38 C35 121.6(6) . .
C45 C38 C35 107.1(6) . .
C85 C39 C46 121.2(6) . .
C85 C39 C101 119.6(6) . .
C46 C39 C101 106.2(6) . .
C83 C40 C117 119.9(7) . .
C83 C40 C115 122.8(7) . .
C117 C40 C115 109.3(6) . .
C78 C41 C70 117.5(6) . .
C78 C41 C55 118.7(6) . .
C70 C41 C55 117.2(5) . .
C96 C42 C106 120.5(6) . .
C96 C42 C54 119.8(6) . .
C106 C42 C54 107.4(6) . .
C74 C43 C46 119.5(6) . .
C74 C43 C13 119.8(6) . .
C46 C43 C13 109.2(6) . .
C54 C44 C29 121.4(6) . .
C54 C44 C110 118.5(6) . .
C29 C44 C110 108.5(5) . .
C87 C45 C38 119.9(6) . .
C87 C45 C118 119.4(6) . .
C38 C45 C118 108.6(6) . .
C18 C46 C43 118.4(5) . .
C18 C46 C39 119.0(6) . .
C43 C46 C39 108.7(6) . .
C120 C47 C71 118.7(6) . .
C120 C47 C84 116.6(6) . .
C71 C47 C84 123.3(6) . .
C101 C48 C78 120.4(6) . .
C101 C48 C106 120.2(6) . .
C78 C48 C106 107.9(6) . .
C32 C49 C93 120.7(6) . .
C32 C49 C31 120.3(6) . .
C93 C49 C31 108.6(5) . .
C19 C50 C111 110.6(5) . .
C19 C50 C53 102.1(5) . .
C111 C50 C53 107.8(5) . .
C19 C50 Cl18 110.2(4) . .
C111 C50 Cl18 110.1(4) . .
C53 C50 Cl18 115.7(4) . .
C132 C51 C19 121.2(6) . .
C132 C51 C60 120.4(6) . .
C19 C51 C60 108.0(5) . .
C126 C52 C58 121.4(6) . .
C126 C52 C67 119.8(6) . .
C58 C52 C67 108.4(6) . .
C144 C53 C60 121.9(5) . .
C144 C53 C50 122.9(5) . .
C60 C53 C50 108.4(5) . .
C44 C54 C78 120.5(6) . .
C44 C54 C42 119.3(6) . .
C78 C54 C42 108.6(6) . .
C13 C55 C41 118.1(6) . .
C13 C55 C76 116.8(6) . .
C41 C55 C76 120.0(5) . .
C24 C56 C130 118.5(5) . .
C24 C56 C103 116.8(5) . .
C130 C56 C103 123.7(5) . .
C93 C57 C66 119.5(6) . .
C93 C57 C107 119.0(6) . .
C66 C57 C107 108.9(6) . .
C35 C58 C52 119.4(6) . .
C35 C58 C23 121.5(6) . .
C52 C58 C23 107.8(5) . .
C21 C60 C53 119.9(6) . .
C21 C60 C51 120.0(6) . .
C53 C60 C51 110.4(5) . .
C89 C61 C31 102.0(5) . .
C89 C61 C114 111.3(5) . .
C31 C61 C114 110.0(5) . .
C89 C61 Cl19 112.7(4) . .
C31 C61 Cl19 112.0(4) . .
C114 C61 Cl19 108.7(4) . .
C30 C62 C108 120.0(6) . .
C30 C62 C112 123.1(6) . .
C108 C62 C112 109.5(6) . .
C79 C63 C113 119.9(6) . .
C79 C63 C87 119.4(7) . .
C113 C63 C87 106.6(6) . .
C20 C64 C94 121.5(6) . .
C20 C64 C4A 129.8(6) . .
C94 C64 C4A 104.5(6) . .
C20 C64 C3B 103.8(10) . .
C94 C64 C3B 134.4(10) . .
C4A C64 C3B 32.1(9) . .
C38 C65 C126 117.8(6) . .
C38 C65 C28 118.3(6) . .
C126 C65 C28 116.4(5) . .
C100 C66 C57 118.6(6) . .
C100 C66 C85 119.4(6) . .
C57 C66 C85 108.0(6) . .
C73 C67 C75 121.2(6) . .
C73 C67 C52 121.0(6) . .
C75 C67 C52 107.7(6) . .
C90 C68 C20 106.2(5) . .
C90 C68 C5A 104.4(6) . .
C20 C68 C5A 116.2(7) . .
C90 C68 C5B 114.5(14) . .
C20 C68 C5B 100.9(13) . .
C5A C68 C5B 15.8(12) . .
C90 C68 Cl17 108.6(4) . .
C20 C68 Cl17 109.5(4) . .
C5A C68 Cl17 111.4(5) . .
C5B C68 Cl17 116.4(16) . .
C17 C69 C18 119.0(6) . .
C17 C69 C25 123.4(5) . .
C18 C69 C25 108.9(5) . .
C110 C70 C102 116.3(6) . .
C110 C70 C41 119.5(6) . .
C102 C70 C41 119.6(6) . .
C47 C71 C82 120.4(5) . .
C47 C71 C112 119.1(6) . .
C82 C71 C112 119.9(6) . .
C128 C72 C26 118.8(6) . .
C128 C72 C80 120.0(6) . .
C26 C72 C80 108.0(6) . .
C67 C73 C37 116.2(6) . .
C67 C73 C91 119.4(6) . .
C37 C73 C91 117.1(6) . .
C43 C74 C88 118.8(6) . .
C43 C74 C17 121.3(6) . .
C88 C74 C17 111.2(5) . .
C116 C75 C67 117.9(6) . .
C116 C75 C23 120.5(6) . .
C67 C75 C23 107.8(6) . .
C88 C76 C55 119.5(6) . .
C88 C76 C77 120.5(5) . .
C55 C76 C77 118.6(5) . .
C102 C77 C76 106.3(5) . .
C102 C77 C6A 103.0(5) . .
C76 C77 C6A 116.3(6) . .
C102 C77 C6B 123(2) . .
C76 C77 C6B 94.9(16) . .
C6A C77 C6B 25(2) . .
C102 C77 Cl20 111.1(4) . .
C76 C77 Cl20 107.8(4) . .
C6A C77 Cl20 112.2(4) . .
C6B C77 Cl20 111.0(14) . .
C41 C78 C54 121.5(6) . .
C41 C78 C48 121.1(6) . .
C54 C78 C48 107.7(5) . .
C63 C79 C81 120.2(7) . .
C63 C79 C33 119.7(7) . .
C81 C79 C33 108.3(6) . .
C23 C80 C125 120.0(6) . .
C23 C80 C72 118.9(6) . .
C125 C80 C72 108.3(6) . .
C118 C81 C79 120.5(7) . .
C118 C81 C127 119.3(7) . .
C79 C81 C127 108.5(6) . .
C123 C82 C71 119.4(6) . .
C123 C82 C115 118.1(6) . .
C71 C82 C115 121.8(6) . .
C40 C83 C94 118.7(7) . .
C40 C83 C119 120.1(7) . .
C94 C83 C119 113.8(6) . .
C47 C84 C104 110.7(5) . .
C47 C84 C92 108.9(5) . .
C104 C84 C92 101.7(5) . .
C47 C84 Cl15 110.9(4) . .
C104 C84 Cl15 109.4(4) . .
C92 C84 Cl15 114.9(4) . .
C39 C85 C109 120.8(6) . .
C39 C85 C66 119.7(6) . .
C109 C85 C66 107.4(6) . .
C33 C86 C30 120.9(7) . .
C33 C86 C117 119.7(7) . .
C30 C86 C117 107.6(6) . .
C45 C87 C27 119.0(6) . .
C45 C87 C63 120.5(6) . .
C27 C87 C63 109.1(6) . .
C76 C88 C74 122.0(6) . .
C76 C88 C11B 106.6(19) . .
C74 C88 C11B 131(2) . .
C76 C88 C10A 126.4(6) . .
C74 C88 C10A 107.2(6) . .
C11B C88 C10A 28.6(19) . .
C22 C89 C93 119.9(6) . .
C22 C89 C61 122.7(5) . .
C93 C89 C61 110.4(5) . .
C37 C90 C126 122.0(6) . .
C37 C90 C68 115.2(5) . .
C126 C90 C68 121.2(5) . .
C92 C91 C73 119.2(6) . .
C92 C91 C129 118.2(6) . .
C73 C91 C129 117.7(6) . .
C91 C92 C116 120.8(6) . .
C91 C92 C84 122.4(6) . .
C116 C92 C84 109.3(6) . .
C57 C93 C89 120.7(6) . .
C57 C93 C49 120.3(6) . .
C89 C93 C49 108.9(5) . .
C95 C94 C64 119.3(6) . .
C95 C94 C83 121.1(6) . .
C64 C94 C83 111.5(6) . .
C94 C95 C27 120.0(6) . .
C94 C95 C113 120.3(7) . .
C27 C95 C113 108.8(6) . .
C42 C96 C124 119.7(6) . .
C42 C96 C36 120.4(6) . .
C124 C96 C36 107.3(6) . .
C125 C97 C35 119.7(6) . .
C125 C97 C118 120.2(7) . .
C35 C97 C118 107.8(6) . .
C26 C98 C108 120.5(6) . .
C26 C98 C99 120.2(6) . .
C108 C98 C99 109.2(6) . .
C104 C99 C98 121.0(6) . .
C104 C99 C112 122.4(6) . .
C98 C99 C112 109.4(6) . .
C66 C100 C18 120.0(6) . .
C66 C100 C22 121.3(6) . .
C18 C100 C22 108.4(5) . .
C48 C101 C13 119.3(6) . .
C48 C101 C39 120.5(6) . .
C13 C101 C39 108.4(6) . .
C12 C102 C70 121.8(6) . .
C12 C102 C77 113.9(5) . .
C70 C102 C77 121.9(5) . .
C9B C103 C17 133.2(16) . .
C9B C103 C56 96.8(17) . .
C17 C103 C56 106.8(5) . .
C9B C103 C10A 34.7(15) . .
C17 C103 C10A 98.5(5) . .
C56 C103 C10A 112.7(5) . .
C9B C103 Cl4A 91.5(9) . .
C17 C103 Cl4A 116.3(4) . .
C56 C103 Cl4A 109.8(4) . .
C10A C103 Cl4A 112.3(4) . .
C9B C103 Cl5B 113.9(10) . .
C17 C103 Cl5B 98.8(5) . .
C56 C103 Cl5B 104.6(5) . .
C10A C103 Cl5B 131.9(6) . .
Cl4A C103 Cl5B 22.4(4) . .
C99 C104 C128 119.2(6) . .
C99 C104 C84 122.8(6) . .
C128 C104 C84 110.2(6) . .
C34 C105 C21 121.6(6) . .
C34 C105 C110 120.9(6) . .
C21 C105 C110 108.4(6) . .
C109 C106 C42 119.7(6) . .
C109 C106 C48 119.7(6) . .
C42 C106 C48 108.2(6) . .
C124 C107 C57 120.6(6) . .
C124 C107 C109 119.6(6) . .
C57 C107 C109 107.2(6) . .
C122 C108 C98 121.3(6) . .
C122 C108 C62 120.4(6) . .
C98 C108 C62 109.2(6) . .
C106 C109 C85 119.0(6) . .
C106 C109 C107 119.9(6) . .
C85 C109 C107 108.4(6) . .
C70 C110 C44 122.3(6) . .
C70 C110 C105 120.2(6) . .
C44 C110 C105 107.2(6) . .
C121 C111 C114 118.7(5) . .
C121 C111 C50 116.8(5) . .
C114 C111 C50 123.0(5) . .
C62 C112 C71 111.3(5) . .
C62 C112 C99 102.3(5) . .
C71 C112 C99 111.2(5) . .
C62 C112 Cl16 111.3(4) . .
C71 C112 Cl16 108.7(4) . .
C99 C112 Cl16 112.1(4) . .
C117 C113 C95 117.8(7) . .
C117 C113 C63 121.0(6) . .
C95 C113 C63 108.2(6) . .
C111 C114 C130 120.4(5) . .
C111 C114 C61 119.5(5) . .
C130 C114 C61 119.7(5) . .
C30 C115 C82 111.6(5) . .
C30 C115 C40 102.1(6) . .
C82 C115 C40 108.7(5) . .
C30 C115 Cl12 111.9(4) . .
C82 C115 Cl12 109.0(5) . .
C40 C115 Cl12 113.4(4) . .
C75 C116 C128 119.5(6) . .
C75 C116 C92 120.7(6) . .
C128 C116 C92 110.4(6) . .
C113 C117 C40 121.2(7) . .
C113 C117 C86 119.3(7) . .
C40 C117 C86 109.7(6) . .
C81 C118 C45 119.8(6) . .
C81 C118 C97 120.3(6) . .
C45 C118 C97 107.6(6) . .
C83 C119 C123 107.1(5) . .
C83 C119 C1B 137.5(9) . .
C123 C119 C1B 93.5(8) . .
C83 C119 C4A 95.7(6) . .
C123 C119 C4A 115.4(5) . .
C1B C119 C4A 41.9(8) . .
C83 C119 Cl9A 113.6(5) . .
C123 C119 Cl9A 111.9(5) . .
C1B C119 Cl9A 91.1(8) . .
C4A C119 Cl9A 112.2(5) . .
C83 C119 Cl8B 108.4(5) . .
C123 C119 Cl8B 101.7(5) . .
C1B C119 Cl8B 103.0(8) . .
C4A C119 Cl8B 127.1(5) . .
Cl9A C119 Cl8B 14.9(2) . .
C16 C120 C47 120.0(6) . .
C16 C120 C129 112.3(5) . .
C47 C120 C129 124.5(6) . .
C24 C121 C111 119.8(5) . .
C24 C121 C15 112.7(5) . .
C111 C121 C15 123.8(5) . .
C108 C122 C33 119.9(6) . .
C108 C122 C127 118.7(7) . .
C33 C122 C127 107.7(6) . .
C82 C123 C16 118.5(6) . .
C82 C123 C119 124.2(6) . .
C16 C123 C119 116.0(6) . .
C107 C124 C32 120.5(6) . .
C107 C124 C96 120.5(6) . .
C32 C124 C96 107.7(6) . .
C97 C125 C80 120.2(7) . .
C97 C125 C131 119.0(7) . .
C80 C125 C131 108.6(6) . .
C52 C126 C90 115.7(5) . .
C52 C126 C65 119.9(6) . .
C90 C126 C65 120.3(5) . .
C131 C127 C81 120.6(7) . .
C131 C127 C122 120.0(6) . .
C81 C127 C122 107.2(6) . .
C72 C128 C116 120.7(6) . .
C72 C128 C104 121.0(6) . .
C116 C128 C104 107.5(6) . .
C91 C129 C120 106.3(5) . .
C91 C129 C1A 123.6(6) . .
C120 C129 C1A 101.5(5) . .
C91 C129 C4B 85.6(10) . .
C120 C129 C4B 118.3(9) . .
C1A C129 C4B 38.0(9) . .
C91 C129 Cl9B 110.7(6) . .
C120 C129 Cl9B 119.7(6) . .
C1A C129 Cl9B 95.7(5) . .
C4B C129 Cl9B 110.5(9) . .
C91 C129 Cl8A 105.9(4) . .
C120 C129 Cl8A 110.6(5) . .
C1A C129 Cl8A 108.6(5) . .
C4B C129 Cl8A 123.9(9) . .
Cl9B C129 Cl8A 13.9(3) . .
C56 C130 C114 119.6(5) . .
C56 C130 C25 118.1(5) . .
C114 C130 C25 121.5(5) . .
C127 C131 C125 120.6(7) . .
C127 C131 C26 120.4(6) . .
C125 C131 C26 107.1(6) . .
C51 C132 C32 119.2(6) . .
C51 C132 C36 119.7(6) . .
C32 C132 C36 108.0(6) . .
C137 C136 C139 125.5(12) . 2_676
C136 C137 C139 118.1(12) . .
C1B Cl3B C143 139.5(9) . 2_676
Cl5B Cl4A C103 90.1(7) . .
Cl5B Cl4A Cl6B 174.9(8) . .
C103 Cl4A Cl6B 85.1(3) . .
Cl4A Cl5B C103 67.5(7) . .
C9A Cl6A Cl7B 57.8(4) . .
Cl7A Cl6B Cl4A 88.0(4) . .
Cl21 Cl7A C11B 78.0(18) . .
Cl21 Cl7A C10A 99.5(6) . .
C11B Cl7A C10A 23.9(16) . .
Cl21 Cl7A C9B 124.5(10) . .
C11B Cl7A C9B 46.5(18) . .
C10A Cl7A C9B 27.6(6) . .
Cl21 Cl7A Cl6B 151.8(6) . .
C11B Cl7A Cl6B 91.9(17) . .
C10A Cl7A Cl6B 77.8(4) . .
C9B Cl7A Cl6B 50.4(6) . .
Cl10 Cl7B C11A 81.7(7) . .
Cl10 Cl7B C9A 131.1(8) . .
C11A Cl7B C9A 50.6(5) . .
Cl10 Cl7B Cl6A 138.5(8) . .
C11A Cl7B Cl6A 93.5(6) . .
C9A Cl7B Cl6A 51.0(3) . .
Cl7B Cl10 C11A 60.8(6) . .
C5A Cl11 C5B 14.1(11) . .
C6A Cl13 C6B 22.4(19) . .
Cl7A Cl21 C10A 52.6(5) . .
C134 C133 C142 120.0 . .
C135 C134 C133 120.0 . .
C134 C135 C140 120.0 . .
C141 C140 C135 120.0 . .
C141 C140 C138 121.8(7) . .
C135 C140 C138 118.2(7) . .
C140 C141 C142 120.0 . .
C141 C142 C133 120.0 . .
C136 C139 C137 116.3(11) 2_676 .
C136 C139 C143 124.1(15) 2_676 .
C137 C139 C143 119.5(14) . .
C139 C143 Cl3B 97.7(13) . 2_676
C53 C144 C34 117.9(6) . .
C53 C144 C15 117.8(5) . .
C34 C144 C15 120.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1A C14 1.553(10) .
C1A C3A 1.562(11) .
C1A C129 1.606(10) .
C1A Cl3A 1.769(8) .
C1B C3B 1.59(3) .
C1B C119 1.63(2) .
C1B C14 1.67(2) .
C1B Cl3B 1.78(2) .
C2A C14 1.317(7) .
C2A C4A 1.476(11) .
C2A C5A 1.507(14) .
C2B C14 1.312(10) .
C2B C5B 1.39(5) .
C2B C4B 1.47(3) .
C3A C37 1.530(10) .
C3A C5A 1.626(15) .
C3A Cl2A 1.770(8) .
C3B C5B 1.53(4) .
C3B C64 1.65(2) .
C3B Cl2B 1.76(2) .
C4A C64 1.469(11) .
C4A C119 1.702(8) .
C4A Cl1A 1.805(8) .
C4B C37 1.54(2) .
C4B C129 1.630(17) .
C4B Cl1B 1.88(2) .
C5A C68 1.570(13) .
C5A Cl11 1.763(11) .
C5B C68 1.66(4) .
C5B Cl11 1.85(4) .
C6A C6B 0.70(6) .
C6A C7B 1.27(4) .
C6A C7A 1.472(11) .
C6A C77 1.605(10) .
C6A C11A 1.622(11) .
C6A Cl13 1.780(7) .
C6B C7A 1.22(6) .
C6B C11B 1.52(7) .
C6B C7B 1.53(7) .
C6B C77 1.66(6) .
C6B Cl13 1.834(11) .
C6B C10A 2.04(5) .
C7A C7B 1.00(4) .
C7A C8B 1.11(4) .
C7A C8A 1.321(7) .
C7A C11B 1.45(5) .
C7A C9B 1.48(4) .
C7A C10A 1.489(10) .
C7B C8A 1.11(4) .
C7B C8B 1.328(11) .
C7B C11A 1.45(4) .
C7B C9A 1.50(4) .
C7B C10B 1.64(6) .
C8A C8B 0.53(4) .
C8A C24 1.453(10) .
C8A C9A 1.479(13) .
C8A C9B 1.96(4) .
C8A C10B 2.00(5) .
C8B C9B 1.43(6) .
C8B C24 1.43(5) .
C8B C10A 1.96(5) .
C8B C9A 2.01(4) .
C9A C10B 0.97(5) .
C9A C11A 1.542(11) .
C9A C15 1.610(9) .
C9A Cl6A 1.785(7) .
C9A Cl7B 1.944(13) .
C9B C10A 0.97(4) .
C9B C103 1.45(4) .
C9B C11B 1.54(6) .
C9B Cl7A 2.09(4) .
C10A C11B 0.73(5) .
C10A C88 1.513(10) .
C10A C103 1.703(11) .
C10A Cl7A 1.812(7) .
C10A Cl21 2.250(13) .
C10B C11A 1.12(2) .
C10B C15 1.58(2) .
C10B C12 1.60(4) .
C11A C12 1.496(10) .
C11A Cl7B 1.583(13) .
C11A Cl10 1.795(7) .
C11B C88 1.45(4) .
C11B Cl7A 1.67(4) .
C12 C102 1.355(9) .
C12 C34 1.443(9) .
C13 C55 1.400(9) .
C13 C43 1.426(9) .
C13 C101 1.452(9) .
C14 C16 1.396(8) .
C15 C144 1.493(9) .
C15 C121 1.538(8) .
C15 Cl4B 1.755(10) .
C15 Cl5A 1.807(6) .
C16 C120 1.373(9) .
C16 C123 1.393(9) .
C17 C69 1.369(9) .
C17 C74 1.418(9) .
C17 C103 1.499(9) .
C18 C46 1.389(9) .
C18 C100 1.430(9) .
C18 C69 1.448(9) .
C19 C31 1.345(8) .
C19 C51 1.427(8) .
C19 C50 1.519(8) .
C20 C64 1.361(9) .
C20 C28 1.458(9) .
C20 C68 1.517(8) .
C21 C60 1.399(9) .
C21 C105 1.427(9) .
C21 C29 1.443(9) .
C22 C89 1.363(9) .
C22 C100 1.431(9) .
C22 C25 1.516(8) .
C23 C80 1.394(10) .
C23 C58 1.431(9) .
C23 C75 1.437(10) .
C24 C121 1.370(8) .
C24 C56 1.387(8) .
C25 C69 1.527(8) .
C25 C130 1.537(8) .
C25 Cl14 1.807(6) .
C26 C98 1.385(9) .
C26 C72 1.441(10) .
C26 C131 1.475(10) .
C27 C28 1.400(9) .
C27 C95 1.433(10) .
C27 C87 1.443(10) .
C28 C65 1.467(9) .
C29 C36 1.396(9) .
C29 C44 1.437(9) .
C30 C62 1.365(10) .
C30 C86 1.430(10) .
C30 C115 1.503(9) .
C31 C49 1.439(8) .
C31 C61 1.526(8) .
C32 C49 1.405(9) .
C32 C132 1.422(9) .
C32 C124 1.446(9) .
C33 C86 1.411(10) .
C33 C122 1.423(10) .
C33 C79 1.445(10) .
C34 C105 1.387(9) .
C34 C144 1.435(9) .
C35 C58 1.384(9) .
C35 C97 1.431(10) .
C35 C38 1.448(9) .
C36 C132 1.449(9) .
C36 C96 1.452(9) .
C37 C90 1.350(8) .
C37 C73 1.413(9) .
C38 C65 1.407(9) .
C38 C45 1.434(9) .
C39 C85 1.372(9) .
C39 C46 1.445(9) .
C39 C101 1.462(9) .
C40 C83 1.369(10) .
C40 C117 1.421(10) .
C40 C115 1.532(10) .
C41 C78 1.416(9) .
C41 C70 1.453(9) .
C41 C55 1.457(9) .
C42 C96 1.385(9) .
C42 C106 1.442(10) .
C42 C54 1.454(9) .
C43 C74 1.390(9) .
C43 C46 1.426(9) .
C44 C54 1.374(9) .
C44 C110 1.444(9) .
C45 C87 1.383(10) .
C45 C118 1.443(10) .
C47 C120 1.387(9) .
C47 C71 1.411(9) .
C47 C84 1.518(9) .
C48 C101 1.355(9) .
C48 C78 1.447(9) .
C48 C106 1.456(9) .
C49 C93 1.435(9) .
C50 C111 1.520(8) .
C50 C53 1.539(8) .
C50 Cl18 1.812(6) .
C51 C132 1.390(9) .
C51 C60 1.439(9) .
C52 C126 1.411(8) .
C52 C58 1.426(9) .
C52 C67 1.434(9) .
C53 C144 1.387(9) .
C53 C60 1.422(8) .
C54 C78 1.440(9) .
C55 C76 1.470(9) .
C56 C130 1.390(8) .
C56 C103 1.541(8) .
C57 C93 1.405(9) .
C57 C66 1.429(9) .
C57 C107 1.442(9) .
C61 C89 1.506(8) .
C61 C114 1.542(8) .
C61 Cl19 1.818(6) .
C62 C108 1.443(9) .
C62 C112 1.517(9) .
C63 C79 1.388(10) .
C63 C113 1.446(10) .
C63 C87 1.448(9) .
C64 C94 1.430(10) .
C65 C126 1.444(8) .
C66 C100 1.401(9) .
C66 C85 1.451(9) .
C67 C73 1.400(9) .
C67 C75 1.430(9) .
C68 C90 1.496(8) .
C68 Cl17 1.812(6) .
C70 C110 1.391(9) .
C70 C102 1.432(9) .
C71 C82 1.428(9) .
C71 C112 1.520(8) .
C72 C128 1.381(10) .
C72 C80 1.456(9) .
C73 C91 1.429(9) .
C74 C88 1.413(9) .
C75 C116 1.387(9) .
C76 C88 1.371(9) .
C76 C77 1.516(9) .
C77 C102 1.502(9) .
C77 Cl20 1.803(6) .
C79 C81 1.420(10) .
C80 C125 1.439(10) .
C81 C118 1.393(10) .
C81 C127 1.441(10) .
C82 C123 1.387(9) .
C82 C115 1.522(9) .
C83 C94 1.434(10) .
C83 C119 1.504(10) .
C84 C104 1.524(9) .
C84 C92 1.536(9) .
C84 Cl15 1.810(6) .
C85 C109 1.444(10) .
C86 C117 1.445(10) .
C89 C93 1.431(9) .
C90 C126 1.435(8) .
C91 C92 1.375(10) .
C91 C129 1.510(10) .
C92 C116 1.432(10) .
C94 C95 1.360(10) .
C95 C113 1.435(10) .
C96 C124 1.450(9) .
C97 C125 1.395(10) .
C97 C118 1.445(10) .
C98 C108 1.428(10) .
C98 C99 1.433(9) .
C99 C104 1.343(9) .
C99 C112 1.532(9) .
C103 Cl4A 1.748(6) .
C103 Cl5B 1.893(8) .
C104 C128 1.454(9) .
C105 C110 1.444(9) .
C106 C109 1.406(9) .
C107 C124 1.394(9) .
C107 C109 1.447(9) .
C108 C122 1.392(10) .
C111 C121 1.400(8) .
C111 C114 1.401(8) .
C112 Cl16 1.821(6) .
C113 C117 1.388(10) .
C114 C130 1.419(8) .
C115 Cl12 1.828(6) .
C116 C128 1.432(10) .
C119 C123 1.523(10) .
C119 Cl9A 1.747(6) .
C119 Cl8B 1.893(8) .
C120 C129 1.518(9) .
C122 C127 1.463(10) .
C125 C131 1.449(10) .
C127 C131 1.377(10) .
C129 Cl9B 1.748(8) .
C129 Cl8A 1.832(7) .
C136 C137 1.371(9) .
C136 C139 1.392(16) 2_676
C137 C139 1.414(16) .
C138 C140 1.516(13) .
Cl3B C143 2.03(2) 2_676
Cl4A Cl5B 0.723(11) .
Cl4A Cl6B 2.295(10) .
Cl6A Cl7B 2.177(11) .
Cl6B Cl7A 2.131(10) .
Cl7A Cl21 1.069(11) .
Cl7B Cl10 1.105(11) .
C133 C134 1.3900 .
C133 C142 1.3900 .
C134 C135 1.3900 .
C135 C140 1.3900 .
C140 C141 1.3900 .
C141 C142 1.3900 .
C139 C136 1.392(16) 2_676
C139 C143 1.43(2) .
C143 Cl3B 2.03(2) 2_676
