#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/18/4321865.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_4321865
loop_
_publ_author_name
'Izilda A. Bagatin'
'Dominique Matt'
'Holger Thönnessen'
'Peter G. Jones'
_publ_section_title
;
 Calix[4]arene Ligands with Phosphorus-Containing Groups Tethered at the
 Upper Rim
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1585
_journal_page_last               1591
_journal_paper_doi               10.1021/ic980964f
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C80.5 H96.5 Cl7.5 O10 P2'
_chemical_formula_weight         1551.89
_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                108.04(2)
_cell_angle_beta                 93.13(2)
_cell_angle_gamma                100.268(18)
_cell_formula_units_Z            2
_cell_length_a                   16.313(5)
_cell_length_b                   16.553(5)
_cell_length_c                   17.068(6)
_cell_measurement_temperature    173(2)
_cell_volume                     4282(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 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0971
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15336
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.337
_exptl_absorpt_correction_T_max  0.9057
_exptl_absorpt_correction_T_min  0.8107
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1634
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.807
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       0.0000(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     910
_refine_ls_number_reflns         14801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.1428
_refine_ls_R_factor_gt           0.0803
_refine_ls_shift/su_max          0.162
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1536P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2123
_refine_ls_wR_factor_ref         0.2464
_reflns_number_gt                7841
_reflns_number_total             14801
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic980964f.cif
_cod_data_source_block           izil
_cod_original_cell_volume        4283(2)
_cod_original_formula_sum        'C80.50 H96.50 Cl7.50 O10 P2'
_cod_database_code               4321865
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
P1 P 0.90861(7) 0.36364(8) 0.56817(8) 0.0281(3) Uani 1 1 d . . .
P2 P 0.39658(7) -0.09968(8) 0.58898(8) 0.0254(3) Uani 1 1 d . . .
O1 O 0.8225(2) 0.3850(2) 0.9461(2) 0.0346(8) Uani 1 1 d . . .
O2 O 0.9666(3) 0.4061(3) 1.0676(3) 0.0588(11) Uani 1 1 d . . .
O3 O 0.9133(2) 0.4594(2) 0.6006(2) 0.0380(9) Uani 1 1 d . . .
O4 O 0.6227(2) 0.3583(2) 0.9474(2) 0.0367(8) Uani 1 1 d . . .
O5 O 0.7019(3) 0.5371(3) 1.0677(3) 0.0777(15) Uani 1 1 d . . .
O6 O 0.56302(19) 0.16504(19) 0.96555(19) 0.0277(7) Uani 1 1 d . . .
O7 O 0.6050(2) 0.0884(2) 1.0867(2) 0.0434(9) Uani 1 1 d . . .
O8 O 0.3203(2) -0.0911(2) 0.6316(2) 0.0333(8) Uani 1 1 d . . .
O9 O 0.7532(2) 0.1999(2) 0.92997(19) 0.0298(8) Uani 1 1 d . . .
O10 O 0.7784(2) 0.3081(2) 1.1511(2) 0.0405(9) Uani 1 1 d . . .
C11 C 0.8181(3) 0.3619(3) 0.8601(3) 0.0301(11) Uani 1 1 d . . .
C12 C 0.8613(3) 0.2989(3) 0.8175(3) 0.0301(11) Uani 1 1 d . . .
C13 C 0.8612(3) 0.2809(3) 0.7330(3) 0.0323(12) Uani 1 1 d . . .
H13 H 0.8906 0.2385 0.7037 0.039 Uiso 1 1 calc R . .
C14 C 0.8194(3) 0.3230(3) 0.6892(3) 0.0303(11) Uani 1 1 d . . .
C15 C 0.7742(3) 0.3828(3) 0.7326(3) 0.0312(11) Uani 1 1 d . . .
H15 H 0.7447 0.4114 0.7035 0.037 Uiso 1 1 calc R . .
C16 C 0.7712(3) 0.4017(3) 0.8178(3) 0.0292(11) Uani 1 1 d . . .
C17 C 0.7144(3) 0.4617(3) 0.8624(3) 0.0341(12) Uani 1 1 d . . .
H17A H 0.7271 0.4760 0.9232 0.041 Uiso 1 1 calc R . .
H17B H 0.7261 0.5166 0.8493 0.041 Uiso 1 1 calc R . .
C18 C 0.8192(3) 0.3004(3) 0.5961(3) 0.0313(11) Uani 1 1 d . . .
H18A H 0.7669 0.3108 0.5722 0.038 Uiso 1 1 calc R . .
H18B H 0.8197 0.2379 0.5717 0.038 Uiso 1 1 calc R . .
C22 C 0.8848(3) 0.4619(4) 0.9873(4) 0.0461(14) Uani 1 1 d . . .
H22A H 0.8616 0.5137 0.9889 0.055 Uiso 1 1 calc R . .
H22B H 0.9339 0.4623 0.9557 0.055 Uiso 1 1 calc R . .
C23 C 0.9117(4) 0.4661(4) 1.0726(4) 0.0622(19) Uani 1 1 d . . .
H23A H 0.9414 0.5257 1.1054 0.075 Uiso 1 1 calc R . .
H23B H 0.8622 0.4502 1.1000 0.075 Uiso 1 1 calc R . .
C24 C 1.0031(5) 0.4099(6) 1.1469(5) 0.084(2) Uani 1 1 d . . .
H24A H 0.9586 0.3934 1.1795 0.101 Uiso 1 1 calc R . .
H24B H 1.0337 0.4698 1.1777 0.101 Uiso 1 1 calc R . .
C25 C 1.0612(6) 0.3498(8) 1.1347(6) 0.117(4) Uani 1 1 d . . .
H25A H 1.0385 0.2981 1.0867 0.140 Uiso 1 1 calc R . .
H25B H 1.0681 0.3326 1.1843 0.140 Uiso 1 1 calc R . .
H25C H 1.1158 0.3785 1.1249 0.140 Uiso 1 1 calc R . .
C31 C 0.5809(3) 0.3641(3) 0.8762(3) 0.0288(11) Uani 1 1 d . . .
C32 C 0.6223(3) 0.4189(3) 0.8363(3) 0.0277(11) Uani 1 1 d . . .
C33 C 0.5779(3) 0.4289(3) 0.7690(3) 0.0306(11) Uani 1 1 d . . .
H33 H 0.6052 0.4668 0.7421 0.037 Uiso 1 1 calc R . .
C34 C 0.4951(3) 0.3858(3) 0.7392(3) 0.0290(11) Uani 1 1 d . . .
C35 C 0.4594(3) 0.3267(3) 0.7779(3) 0.0303(11) Uani 1 1 d . . .
H35 H 0.4043 0.2937 0.7569 0.036 Uiso 1 1 calc R . .
C36 C 0.5002(3) 0.3141(3) 0.8450(3) 0.0264(11) Uani 1 1 d . . .
C37 C 0.4609(3) 0.2435(3) 0.8785(3) 0.0289(11) Uani 1 1 d . . .
H37A H 0.3990 0.2330 0.8676 0.035 Uiso 1 1 calc R . .
H37B H 0.4764 0.2623 0.9393 0.035 Uiso 1 1 calc R . .
C38 C 0.4455(3) 0.4034(3) 0.6694(3) 0.0368(12) Uani 1 1 d . . .
C39 C 0.5027(4) 0.4326(4) 0.6115(4) 0.0589(17) Uani 1 1 d . . .
H39A H 0.5339 0.3873 0.5866 0.071 Uiso 1 1 calc R . .
H39B H 0.5423 0.4864 0.6430 0.071 Uiso 1 1 calc R . .
H39C H 0.4689 0.4427 0.5676 0.071 Uiso 1 1 calc R . .
C40 C 0.3975(5) 0.4745(5) 0.7103(4) 0.073(2) Uani 1 1 d . . .
H40A H 0.3672 0.4892 0.6673 0.088 Uiso 1 1 calc R . .
H40B H 0.4373 0.5262 0.7459 0.088 Uiso 1 1 calc R . .
H40C H 0.3576 0.4533 0.7439 0.088 Uiso 1 1 calc R . .
C41 C 0.3833(4) 0.3234(4) 0.6163(4) 0.0549(16) Uani 1 1 d . . .
H41A H 0.4124 0.2753 0.5959 0.066 Uiso 1 1 calc R . .
H41B H 0.3573 0.3353 0.5691 0.066 Uiso 1 1 calc R . .
H41C H 0.3398 0.3076 0.6494 0.066 Uiso 1 1 calc R . .
C42 C 0.5977(4) 0.4092(4) 1.0229(3) 0.0458(14) Uani 1 1 d . . .
H42A H 0.6242 0.3944 1.0688 0.055 Uiso 1 1 calc R . .
H42B H 0.5363 0.3900 1.0207 0.055 Uiso 1 1 calc R . .
C43 C 0.6156(5) 0.5024(5) 1.0452(5) 0.072(2) Uani 1 1 d . . .
H43A H 0.5959 0.5190 0.9976 0.086 Uiso 1 1 calc R . .
H43B H 0.5846 0.5271 1.0921 0.086 Uiso 1 1 calc R . .
C44 C 0.7220(6) 0.6313(5) 1.0948(6) 0.094(3) Uani 1 1 d . . .
H44A H 0.6906 0.6518 1.0560 0.113 Uiso 1 1 calc R . .
H44B H 0.7038 0.6543 1.1504 0.113 Uiso 1 1 calc R . .
C45 C 0.8089(6) 0.6640(6) 1.0984(5) 0.100(3) Uani 1 1 d . . .
H45A H 0.8408 0.6298 1.1212 0.120 Uiso 1 1 calc R . .
H45B H 0.8230 0.7248 1.1341 0.120 Uiso 1 1 calc R . .
H45C H 0.8231 0.6600 1.0425 0.120 Uiso 1 1 calc R . .
C51 C 0.5452(3) 0.1269(3) 0.8800(3) 0.0251(10) Uani 1 1 d . . .
C52 C 0.4909(3) 0.1594(3) 0.8372(3) 0.0252(10) Uani 1 1 d . . .
C53 C 0.4666(3) 0.1153(3) 0.7528(3) 0.0269(11) Uani 1 1 d . . .
H53 H 0.4274 0.1348 0.7234 0.032 Uiso 1 1 calc R . .
C54 C 0.4987(3) 0.0429(3) 0.7106(3) 0.0267(11) Uani 1 1 d . . .
C55 C 0.5570(3) 0.0173(3) 0.7544(3) 0.0271(11) Uani 1 1 d . . .
H55 H 0.5808 -0.0303 0.7257 0.033 Uiso 1 1 calc R . .
C56 C 0.5826(3) 0.0581(3) 0.8389(3) 0.0260(10) Uani 1 1 d . . .
C57 C 0.6508(3) 0.0310(3) 0.8820(3) 0.0310(11) Uani 1 1 d . . .
H57A H 0.6348 -0.0319 0.8737 0.037 Uiso 1 1 calc R . .
H57B H 0.6570 0.0626 0.9423 0.037 Uiso 1 1 calc R . .
C58 C 0.4745(3) 0.0005(3) 0.6184(3) 0.0274(11) Uani 1 1 d . . .
H58A H 0.5255 -0.0115 0.5920 0.033 Uiso 1 1 calc R . .
H58B H 0.4527 0.0421 0.5961 0.033 Uiso 1 1 calc R . .
C62 C 0.5037(3) 0.1275(3) 1.0103(3) 0.0355(12) Uani 1 1 d . . .
H62A H 0.4839 0.0647 0.9801 0.043 Uiso 1 1 calc R . .
H62B H 0.4546 0.1556 1.0151 0.043 Uiso 1 1 calc R . .
C63 C 0.5448(3) 0.1402(4) 1.0947(3) 0.0408(13) Uani 1 1 d . . .
H63A H 0.5719 0.2020 1.1220 0.049 Uiso 1 1 calc R . .
H63B H 0.5024 0.1235 1.1293 0.049 Uiso 1 1 calc R . .
C64 C 0.6456(4) 0.0930(4) 1.1642(4) 0.0569(17) Uani 1 1 d . . .
H64A H 0.6033 0.0788 1.1999 0.068 Uiso 1 1 calc R . .
H64B H 0.6784 0.1524 1.1928 0.068 Uiso 1 1 calc R . .
C65 C 0.7029(5) 0.0292(5) 1.1488(5) 0.073(2) Uani 1 1 d . . .
H65A H 0.6701 -0.0295 1.1203 0.088 Uiso 1 1 calc R . .
H65B H 0.7309 0.0313 1.2019 0.088 Uiso 1 1 calc R . .
H65C H 0.7452 0.0443 1.1142 0.088 Uiso 1 1 calc R . .
C71 C 0.7826(3) 0.1341(3) 0.8733(3) 0.0276(11) Uani 1 1 d . . .
C72 C 0.7344(3) 0.0499(3) 0.8484(3) 0.0269(10) Uani 1 1 d . . .
C73 C 0.7621(3) -0.0144(3) 0.7893(3) 0.0356(12) Uani 1 1 d . . .
H73 H 0.7297 -0.0719 0.7721 0.043 Uiso 1 1 calc R . .
C74 C 0.8357(3) 0.0020(4) 0.7541(3) 0.0393(13) Uani 1 1 d . . .
C75 C 0.8818(3) 0.0871(3) 0.7803(3) 0.0363(12) Uani 1 1 d . . .
H75 H 0.9327 0.0996 0.7578 0.044 Uiso 1 1 calc R . .
C76 C 0.8557(3) 0.1539(3) 0.8383(3) 0.0293(11) Uani 1 1 d . . .
C77 C 0.9037(3) 0.2476(3) 0.8607(3) 0.0356(12) Uani 1 1 d . . .
H77A H 0.9082 0.2760 0.9215 0.043 Uiso 1 1 calc R . .
H77B H 0.9612 0.2477 0.8449 0.043 Uiso 1 1 calc R . .
C78 C 0.8634(4) -0.0722(4) 0.6881(4) 0.0590(18) Uani 1 1 d . . .
C79 C 0.8671(12) -0.1458(8) 0.7213(8) 0.222(9) Uani 1 1 d . . .
H79A H 0.8594 -0.2003 0.6750 0.266 Uiso 1 1 calc R . .
H79B H 0.8225 -0.1501 0.7570 0.266 Uiso 1 1 calc R . .
H79C H 0.9217 -0.1352 0.7537 0.266 Uiso 1 1 calc R . .
C80 C 0.7929(6) -0.1198(6) 0.6182(6) 0.124(4) Uani 1 1 d . . .
H80A H 0.7758 -0.0786 0.5931 0.148 Uiso 1 1 calc R . .
H80B H 0.7450 -0.1463 0.6403 0.148 Uiso 1 1 calc R . .
H80C H 0.8125 -0.1651 0.5760 0.148 Uiso 1 1 calc R . .
C81 C 0.9357(9) -0.0479(8) 0.6571(12) 0.310(15) Uani 1 1 d . . .
H81A H 0.9305 -0.0001 0.6359 0.372 Uiso 1 1 calc R . .
H81B H 0.9456 -0.0973 0.6120 0.372 Uiso 1 1 calc R . .
H81C H 0.9828 -0.0287 0.7013 0.372 Uiso 1 1 calc R . .
C82 C 0.7856(3) 0.2164(3) 1.0147(3) 0.0372(12) Uani 1 1 d . . .
H82A H 0.8470 0.2387 1.0234 0.045 Uiso 1 1 calc R . .
H82B H 0.7737 0.1625 1.0295 0.045 Uiso 1 1 calc R . .
C83 C 0.7421(3) 0.2826(3) 1.0662(3) 0.0359(12) Uani 1 1 d . . .
H83A H 0.7490 0.3337 1.0469 0.043 Uiso 1 1 calc R . .
H83B H 0.6814 0.2579 1.0613 0.043 Uiso 1 1 calc R . .
C84 C 0.7392(3) 0.3703(4) 1.2042(3) 0.0412(13) Uani 1 1 d . . .
H84A H 0.6786 0.3458 1.2007 0.049 Uiso 1 1 calc R . .
H84B H 0.7451 0.4225 1.1866 0.049 Uiso 1 1 calc R . .
C85 C 0.7797(4) 0.3950(4) 1.2924(3) 0.0470(14) Uani 1 1 d . . .
H85A H 0.7710 0.3437 1.3105 0.056 Uiso 1 1 calc R . .
H85B H 0.7542 0.4398 1.3288 0.056 Uiso 1 1 calc R . .
H85C H 0.8399 0.4174 1.2952 0.056 Uiso 1 1 calc R . .
C111 C 1.0000(3) 0.3348(3) 0.6080(3) 0.0309(11) Uani 1 1 d . . .
C112 C 1.0161(4) 0.2511(4) 0.5758(4) 0.0459(14) Uani 1 1 d . . .
H112 H 0.9794 0.2083 0.5313 0.055 Uiso 1 1 calc R . .
C113 C 1.0858(4) 0.2314(4) 0.6093(4) 0.0573(17) Uani 1 1 d . . .
H113 H 1.0963 0.1744 0.5885 0.069 Uiso 1 1 calc R . .
C114 C 1.1395(4) 0.2926(4) 0.6716(4) 0.0555(16) Uani 1 1 d . . .
H114 H 1.1879 0.2785 0.6935 0.067 Uiso 1 1 calc R . .
C115 C 1.1243(4) 0.3748(4) 0.7033(4) 0.0573(17) Uani 1 1 d . . .
H115 H 1.1619 0.4173 0.7473 0.069 Uiso 1 1 calc R . .
C116 C 1.0547(3) 0.3961(3) 0.6714(3) 0.0400(13) Uani 1 1 d . . .
H116 H 1.0445 0.4531 0.6934 0.048 Uiso 1 1 calc R . .
C121 C 0.9074(3) 0.3202(3) 0.4573(3) 0.0297(11) Uani 1 1 d . . .
C122 C 0.8570(3) 0.2421(3) 0.4072(3) 0.0386(13) Uani 1 1 d . . .
H122 H 0.8161 0.2106 0.4302 0.046 Uiso 1 1 calc R . .
C123 C 0.8663(4) 0.2102(4) 0.3237(4) 0.0516(15) Uani 1 1 d . . .
H123 H 0.8320 0.1567 0.2899 0.062 Uiso 1 1 calc R . .
C124 C 0.9244(4) 0.2550(4) 0.2895(4) 0.0525(16) Uani 1 1 d . . .
H124 H 0.9302 0.2326 0.2322 0.063 Uiso 1 1 calc R . .
C125 C 0.9751(4) 0.3335(4) 0.3388(3) 0.0481(15) Uani 1 1 d . . .
H125 H 1.0163 0.3643 0.3154 0.058 Uiso 1 1 calc R . .
C126 C 0.9652(3) 0.3661(4) 0.4212(3) 0.0390(13) Uani 1 1 d . . .
H126 H 0.9982 0.4207 0.4542 0.047 Uiso 1 1 calc R . .
C131 C 0.3742(3) -0.1298(3) 0.4779(3) 0.0245(10) Uani 1 1 d . . .
C132 C 0.3218(3) -0.0860(3) 0.4473(3) 0.0322(12) Uani 1 1 d . . .
H132 H 0.2991 -0.0424 0.4849 0.039 Uiso 1 1 calc R . .
C133 C 0.3020(3) -0.1051(3) 0.3619(3) 0.0336(12) Uani 1 1 d . . .
H133 H 0.2664 -0.0746 0.3417 0.040 Uiso 1 1 calc R . .
C134 C 0.3347(3) -0.1692(3) 0.3066(3) 0.0307(11) Uani 1 1 d . . .
H134 H 0.3218 -0.1827 0.2485 0.037 Uiso 1 1 calc R . .
C135 C 0.3859(3) -0.2126(3) 0.3371(3) 0.0334(12) Uani 1 1 d . . .
H135 H 0.4080 -0.2565 0.2994 0.040 Uiso 1 1 calc R . .
C136 C 0.4061(3) -0.1939(3) 0.4217(3) 0.0301(11) Uani 1 1 d . . .
H136 H 0.4418 -0.2248 0.4413 0.036 Uiso 1 1 calc R . .
C141 C 0.4477(3) -0.1814(3) 0.6087(3) 0.0304(11) Uani 1 1 d . . .
C142 C 0.4015(4) -0.2410(3) 0.6382(3) 0.0404(13) Uani 1 1 d . . .
H142 H 0.3453 -0.2379 0.6485 0.048 Uiso 1 1 calc R . .
C143 C 0.4369(4) -0.3059(4) 0.6531(4) 0.0548(16) Uani 1 1 d . . .
H143 H 0.4047 -0.3469 0.6738 0.066 Uiso 1 1 calc R . .
C144 C 0.5178(4) -0.3115(4) 0.6382(4) 0.0579(17) Uani 1 1 d . . .
H144 H 0.5414 -0.3562 0.6485 0.069 Uiso 1 1 calc R . .
C145 C 0.5646(4) -0.2523(4) 0.6084(4) 0.0462(14) Uani 1 1 d . . .
H145 H 0.6208 -0.2560 0.5985 0.055 Uiso 1 1 calc R . .
C146 C 0.5302(3) -0.1871(3) 0.5928(3) 0.0382(13) Uani 1 1 d . . .
H146 H 0.5623 -0.1467 0.5714 0.046 Uiso 1 1 calc R . .
C98 C -0.2235(4) -0.4505(4) 0.5688(4) 0.0501(15) Uani 1 1 d . . .
H98 H -0.1732 -0.4723 0.5831 0.060 Uiso 1 1 calc R . .
Cl94 Cl -0.30230(11) -0.54023(12) 0.51249(12) 0.0739(5) Uani 1 1 d . . .
Cl95 Cl -0.25751(14) -0.39245(14) 0.66149(13) 0.0886(7) Uani 1 1 d . . .
Cl96 Cl -0.19467(12) -0.38355(13) 0.50814(13) 0.0766(6) Uani 1 1 d . . .
C99 C 0.7892(4) -0.0384(4) 0.3565(5) 0.066(2) Uani 1 1 d . . .
H99 H 0.7540 0.0030 0.3491 0.079 Uiso 1 1 calc R . .
Cl97 Cl 0.72767(10) -0.11876(10) 0.38925(11) 0.0594(5) Uani 1 1 d . . .
Cl98 Cl 0.87313(12) 0.01826(13) 0.43281(17) 0.0930(7) Uani 1 1 d . . .
Cl99 Cl 0.8249(2) -0.0873(2) 0.26122(15) 0.1292(12) Uani 1 1 d . . .
C97 C 0.279(4) 0.251(4) 1.107(4) 0.31(2) Uiso 0.50 1 d P . .
H97 H 0.2279 0.2742 1.1247 0.369 Uiso 0.50 1 calc PR . .
Cl89 Cl 0.3880(9) 0.3284(9) 1.1237(8) 0.261(5) Uiso 0.50 1 d P . .
Cl88 Cl 0.6497(13) -0.2404(13) 0.8221(13) 0.381(9) Uiso 0.50 1 d P . .
Cl87 Cl 0.2750(11) 0.1762(13) 1.0207(12) 0.345(8) 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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
O3 P1 C121 114.4(2) . . ?
O3 P1 C111 111.3(2) . . ?
C121 P1 C111 103.5(2) . . ?
O3 P1 C18 113.8(2) . . ?
C121 P1 C18 107.2(2) . . ?
C111 P1 C18 105.8(2) . . ?
O8 P2 C131 112.3(2) . . ?
O8 P2 C58 113.2(2) . . ?
C131 P2 C58 104.7(2) . . ?
O8 P2 C141 112.5(2) . . ?
C131 P2 C141 106.6(2) . . ?
C58 P2 C141 107.1(2) . . ?
C11 O1 C22 112.4(4) . . ?
C24 O2 C23 113.1(5) . . ?
C31 O4 C42 113.6(4) . . ?
C43 O5 C44 113.1(6) . . ?
C51 O6 C62 113.0(3) . . ?
C63 O7 C64 113.1(4) . . ?
C71 O9 C82 113.7(4) . . ?
C84 O10 C83 111.5(4) . . ?
O1 C11 C16 119.9(4) . . ?
O1 C11 C12 119.0(4) . . ?
C16 C11 C12 121.2(5) . . ?
C13 C12 C11 118.4(5) . . ?
C13 C12 C77 119.6(4) . . ?
C11 C12 C77 121.9(5) . . ?
C12 C13 C14 122.1(5) . . ?
C15 C14 C13 118.2(5) . . ?
C15 C14 C18 121.0(5) . . ?
C13 C14 C18 120.7(4) . . ?
C14 C15 C16 121.6(5) . . ?
C15 C16 C11 118.3(4) . . ?
C15 C16 C17 120.3(5) . . ?
C11 C16 C17 121.3(4) . . ?
C32 C17 C16 111.1(4) . . ?
C14 C18 P1 112.3(3) . . ?
O1 C22 C23 111.0(5) . . ?
O2 C23 C22 107.8(5) . . ?
O2 C24 C25 108.7(7) . . ?
O4 C31 C32 118.5(4) . . ?
O4 C31 C36 120.2(4) . . ?
C32 C31 C36 121.3(5) . . ?
C33 C32 C31 117.9(4) . . ?
C33 C32 C17 121.1(4) . . ?
C31 C32 C17 120.8(4) . . ?
C32 C33 C34 123.0(4) . . ?
C33 C34 C35 116.2(5) . . ?
C33 C34 C38 121.8(4) . . ?
C35 C34 C38 122.0(4) . . ?
C36 C35 C34 123.4(5) . . ?
C35 C36 C31 117.8(4) . . ?
C35 C36 C37 120.3(4) . . ?
C31 C36 C37 121.7(4) . . ?
C36 C37 C52 110.3(4) . . ?
C41 C38 C39 106.7(5) . . ?
C41 C38 C34 111.9(4) . . ?
C39 C38 C34 111.8(4) . . ?
C41 C38 C40 108.9(5) . . ?
C39 C38 C40 110.1(5) . . ?
C34 C38 C40 107.4(4) . . ?
O4 C42 C43 119.4(5) . . ?
O5 C43 C42 111.4(6) . . ?
C45 C44 O5 111.9(7) . . ?
O6 C51 C52 118.7(4) . . ?
O6 C51 C56 119.5(4) . . ?
C52 C51 C56 121.8(4) . . ?
C51 C52 C53 118.3(4) . . ?
C51 C52 C37 122.4(4) . . ?
C53 C52 C37 119.3(4) . . ?
C52 C53 C54 121.3(5) . . ?
C55 C54 C53 118.0(4) . . ?
C55 C54 C58 122.4(4) . . ?
C53 C54 C58 119.4(4) . . ?
C54 C55 C56 123.1(4) . . ?
C55 C56 C51 117.1(4) . . ?
C55 C56 C57 120.4(4) . . ?
C51 C56 C57 122.4(4) . . ?
C56 C57 C72 111.2(4) . . ?
C54 C58 P2 114.7(3) . . ?
O6 C62 C63 109.3(4) . . ?
O7 C63 C62 108.6(4) . . ?
O7 C64 C65 108.7(5) . . ?
O9 C71 C76 120.0(4) . . ?
O9 C71 C72 118.6(4) . . ?
C76 C71 C72 121.3(4) . . ?
C73 C72 C71 118.2(4) . . ?
C73 C72 C57 121.2(4) . . ?
C71 C72 C57 120.5(4) . . ?
C72 C73 C74 122.5(5) . . ?
C75 C74 C73 117.5(4) . . ?
C75 C74 C78 122.2(5) . . ?
C73 C74 C78 120.3(5) . . ?
C76 C75 C74 122.0(4) . . ?
C75 C76 C71 118.5(4) . . ?
C75 C76 C77 120.8(4) . . ?
C71 C76 C77 120.7(4) . . ?
C12 C77 C76 112.1(4) . . ?
C81 C78 C79 112.1(12) . . ?
C81 C78 C80 110.6(10) . . ?
C79 C78 C80 97.5(9) . . ?
C81 C78 C74 114.9(6) . . ?
C79 C78 C74 109.5(6) . . ?
C80 C78 C74 110.9(5) . . ?
O9 C82 C83 106.1(4) . . ?
O10 C83 C82 108.4(4) . . ?
O10 C84 C85 109.4(4) . . ?
C116 C111 C112 119.4(5) . . ?
C116 C111 P1 119.3(4) . . ?
C112 C111 P1 121.3(4) . . ?
C113 C112 C111 119.4(5) . . ?
C114 C113 C112 120.7(6) . . ?
C113 C114 C115 120.3(6) . . ?
C114 C115 C116 120.2(6) . . ?
C111 C116 C115 120.1(5) . . ?
C122 C121 C126 118.6(5) . . ?
C122 C121 P1 124.5(4) . . ?
C126 C121 P1 116.7(4) . . ?
C123 C122 C121 120.1(5) . . ?
C124 C123 C122 120.7(6) . . ?
C123 C124 C125 120.0(5) . . ?
C126 C125 C124 119.6(5) . . ?
C125 C126 C121 121.0(5) . . ?
C132 C131 C136 118.7(4) . . ?
C132 C131 P2 117.5(3) . . ?
C136 C131 P2 123.8(4) . . ?
C131 C132 C133 120.9(4) . . ?
C134 C133 C132 119.6(5) . . ?
C135 C134 C133 119.2(5) . . ?
C134 C135 C136 121.6(5) . . ?
C135 C136 C131 119.9(5) . . ?
C142 C141 C146 119.7(5) . . ?
C142 C141 P2 117.4(4) . . ?
C146 C141 P2 122.9(4) . . ?
C141 C142 C143 119.9(5) . . ?
C144 C143 C142 120.7(6) . . ?
C145 C144 C143 119.9(6) . . ?
C144 C145 C146 120.3(6) . . ?
C145 C146 C141 119.5(5) . . ?
Cl95 C98 Cl94 110.2(3) . . ?
Cl95 C98 Cl96 111.1(3) . . ?
Cl94 C98 Cl96 110.2(3) . . ?
Cl98 C99 Cl99 111.1(4) . . ?
Cl98 C99 Cl97 108.8(4) . . ?
Cl99 C99 Cl97 109.8(4) . . ?
Cl87 C97 Cl88 109(4) . 2_657 ?
Cl87 C97 Cl89 106(3) . . ?
Cl88 C97 Cl89 65(2) 2_657 . ?
C97 Cl89 Cl88 51.2(16) . 2_657 ?
C97 Cl88 Cl89 63.4(19) 2_657 2_657 ?
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
P1 O3 1.495(4) . ?
P1 C121 1.802(5) . ?
P1 C111 1.804(5) . ?
P1 C18 1.814(5) . ?
P2 O8 1.482(3) . ?
P2 C131 1.803(5) . ?
P2 C58 1.812(5) . ?
P2 C141 1.815(5) . ?
O1 C11 1.392(6) . ?
O1 C22 1.433(6) . ?
O2 C24 1.426(8) . ?
O2 C23 1.439(8) . ?
O4 C31 1.398(6) . ?
O4 C42 1.430(6) . ?
O5 C43 1.407(8) . ?
O5 C44 1.451(9) . ?
O6 C51 1.391(5) . ?
O6 C62 1.437(5) . ?
O7 C63 1.399(6) . ?
O7 C64 1.421(7) . ?
O9 C71 1.391(5) . ?
O9 C82 1.438(6) . ?
O10 C84 1.418(6) . ?
O10 C83 1.438(6) . ?
C11 C16 1.399(7) . ?
C11 C12 1.401(7) . ?
C12 C13 1.380(7) . ?
C12 C77 1.511(7) . ?
C13 C14 1.396(7) . ?
C14 C15 1.392(7) . ?
C14 C18 1.515(7) . ?
C15 C16 1.395(7) . ?
C16 C17 1.537(6) . ?
C17 C32 1.520(7) . ?
C22 C23 1.475(9) . ?
C24 C25 1.471(12) . ?
C31 C32 1.399(7) . ?
C31 C36 1.400(7) . ?
C32 C33 1.394(7) . ?
C33 C34 1.396(7) . ?
C34 C35 1.403(7) . ?
C34 C38 1.534(7) . ?
C35 C36 1.384(7) . ?
C36 C37 1.514(6) . ?
C37 C52 1.533(6) . ?
C38 C41 1.511(8) . ?
C38 C39 1.522(8) . ?
C38 C40 1.537(7) . ?
C42 C43 1.439(9) . ?
C44 C45 1.415(11) . ?
C51 C52 1.395(7) . ?
C51 C56 1.401(6) . ?
C52 C53 1.395(6) . ?
C53 C54 1.401(6) . ?
C54 C55 1.381(7) . ?
C54 C58 1.507(7) . ?
C55 C56 1.393(7) . ?
C56 C57 1.507(7) . ?
C57 C72 1.526(6) . ?
C62 C63 1.492(7) . ?
C64 C65 1.505(9) . ?
C71 C76 1.395(6) . ?
C71 C72 1.396(7) . ?
C72 C73 1.382(7) . ?
C73 C74 1.394(7) . ?
C74 C75 1.395(7) . ?
C74 C78 1.542(7) . ?
C75 C76 1.386(7) . ?
C76 C77 1.527(7) . ?
C78 C81 1.364(11) . ?
C78 C79 1.504(14) . ?
C78 C80 1.521(10) . ?
C82 C83 1.491(7) . ?
C84 C85 1.512(7) . ?
C111 C116 1.374(7) . ?
C111 C112 1.402(7) . ?
C112 C113 1.380(8) . ?
C113 C114 1.356(9) . ?
C114 C115 1.374(8) . ?
C115 C116 1.380(8) . ?
C121 C122 1.393(7) . ?
C121 C126 1.394(7) . ?
C122 C123 1.385(8) . ?
C123 C124 1.366(8) . ?
C124 C125 1.395(8) . ?
C125 C126 1.372(7) . ?
C131 C132 1.391(7) . ?
C131 C136 1.393(6) . ?
C132 C133 1.399(7) . ?
C133 C134 1.391(7) . ?
C134 C135 1.372(7) . ?
C135 C136 1.388(7) . ?
C141 C142 1.371(7) . ?
C141 C146 1.400(7) . ?
C142 C143 1.387(8) . ?
C143 C144 1.372(9) . ?
C144 C145 1.372(9) . ?
C145 C146 1.390(7) . ?
C98 Cl95 1.754(6) . ?
C98 Cl94 1.756(6) . ?
C98 Cl96 1.761(6) . ?
C99 Cl98 1.744(8) . ?
C99 Cl99 1.759(7) . ?
C99 Cl97 1.772(7) . ?
C97 Cl87 1.60(5) . ?
C97 Cl88 1.70(5) 2_657 ?
C97 Cl89 1.95(5) . ?
Cl89 Cl88 1.98(2) 2_657 ?
Cl88 C97 1.70(5) 2_657 ?
Cl88 Cl89 1.98(2) 2_657 ?
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
C22 O1 C11 C16 -82.9(5) . . . . ?
C22 O1 C11 C12 96.9(5) . . . . ?
O1 C11 C12 C13 -175.6(4) . . . . ?
C16 C11 C12 C13 4.2(7) . . . . ?
O1 C11 C12 C77 7.7(6) . . . . ?
C16 C11 C12 C77 -172.6(4) . . . . ?
C11 C12 C13 C14 -0.2(7) . . . . ?
C77 C12 C13 C14 176.6(4) . . . . ?
C12 C13 C14 C15 -2.3(7) . . . . ?
C12 C13 C14 C18 -178.8(4) . . . . ?
C13 C14 C15 C16 0.9(7) . . . . ?
C18 C14 C15 C16 177.5(4) . . . . ?
C14 C15 C16 C11 2.8(7) . . . . ?
C14 C15 C16 C17 -174.5(4) . . . . ?
O1 C11 C16 C15 174.4(4) . . . . ?
C12 C11 C16 C15 -5.4(7) . . . . ?
O1 C11 C16 C17 -8.4(6) . . . . ?
C12 C11 C16 C17 171.8(4) . . . . ?
C15 C16 C17 C32 68.6(6) . . . . ?
C11 C16 C17 C32 -108.6(5) . . . . ?
C15 C14 C18 P1 95.5(5) . . . . ?
C13 C14 C18 P1 -88.0(5) . . . . ?
O3 P1 C18 C14 -59.8(4) . . . . ?
C121 P1 C18 C14 172.6(3) . . . . ?
C111 P1 C18 C14 62.7(4) . . . . ?
C11 O1 C22 C23 -157.8(5) . . . . ?
C24 O2 C23 C22 174.6(5) . . . . ?
O1 C22 C23 O2 76.1(6) . . . . ?
C23 O2 C24 C25 -177.0(6) . . . . ?
C42 O4 C31 C32 100.4(5) . . . . ?
C42 O4 C31 C36 -81.2(5) . . . . ?
O4 C31 C32 C33 -175.5(4) . . . . ?
C36 C31 C32 C33 6.2(6) . . . . ?
O4 C31 C32 C17 8.1(6) . . . . ?
C36 C31 C32 C17 -170.3(4) . . . . ?
C16 C17 C32 C33 -90.1(5) . . . . ?
C16 C17 C32 C31 86.2(5) . . . . ?
C31 C32 C33 C34 -1.2(6) . . . . ?
C17 C32 C33 C34 175.3(4) . . . . ?
C32 C33 C34 C35 -3.6(6) . . . . ?
C32 C33 C34 C38 175.2(4) . . . . ?
C33 C34 C35 C36 3.8(6) . . . . ?
C38 C34 C35 C36 -175.0(4) . . . . ?
C34 C35 C36 C31 0.9(6) . . . . ?
C34 C35 C36 C37 -174.4(4) . . . . ?
O4 C31 C36 C35 175.6(4) . . . . ?
C32 C31 C36 C35 -6.1(6) . . . . ?
O4 C31 C36 C37 -9.1(6) . . . . ?
C32 C31 C36 C37 169.2(4) . . . . ?
C35 C36 C37 C52 92.2(5) . . . . ?
C31 C36 C37 C52 -83.0(5) . . . . ?
C33 C34 C38 C41 148.0(5) . . . . ?
C35 C34 C38 C41 -33.2(6) . . . . ?
C33 C34 C38 C39 28.4(6) . . . . ?
C35 C34 C38 C39 -152.9(5) . . . . ?
C33 C34 C38 C40 -92.5(6) . . . . ?
C35 C34 C38 C40 86.2(6) . . . . ?
C31 O4 C42 C43 -65.5(7) . . . . ?
C44 O5 C43 C42 -176.9(6) . . . . ?
O4 C42 C43 O5 -70.5(8) . . . . ?
C43 O5 C44 C45 -166.2(7) . . . . ?
C62 O6 C51 C52 87.7(5) . . . . ?
C62 O6 C51 C56 -93.1(5) . . . . ?
O6 C51 C52 C53 -173.5(4) . . . . ?
C56 C51 C52 C53 7.3(6) . . . . ?
O6 C51 C52 C37 9.4(6) . . . . ?
C56 C51 C52 C37 -169.8(4) . . . . ?
C36 C37 C52 C51 109.8(5) . . . . ?
C36 C37 C52 C53 -67.2(5) . . . . ?
C51 C52 C53 C54 -3.2(6) . . . . ?
C37 C52 C53 C54 173.9(4) . . . . ?
C52 C53 C54 C55 -1.6(6) . . . . ?
C52 C53 C54 C58 -176.4(4) . . . . ?
C53 C54 C55 C56 2.6(7) . . . . ?
C58 C54 C55 C56 177.3(4) . . . . ?
C54 C55 C56 C51 1.2(7) . . . . ?
C54 C55 C56 C57 -175.8(4) . . . . ?
O6 C51 C56 C55 174.5(4) . . . . ?
C52 C51 C56 C55 -6.3(6) . . . . ?
O6 C51 C56 C57 -8.5(6) . . . . ?
C52 C51 C56 C57 170.7(4) . . . . ?
C55 C56 C57 C72 64.4(6) . . . . ?
C51 C56 C57 C72 -112.4(5) . . . . ?
C55 C54 C58 P2 82.3(5) . . . . ?
C53 C54 C58 P2 -103.1(4) . . . . ?
O8 P2 C58 C54 52.7(4) . . . . ?
C131 P2 C58 C54 175.4(3) . . . . ?
C141 P2 C58 C54 -71.7(4) . . . . ?
C51 O6 C62 C63 154.4(4) . . . . ?
C64 O7 C63 C62 -177.5(4) . . . . ?
O6 C62 C63 O7 -69.0(5) . . . . ?
C63 O7 C64 C65 175.0(5) . . . . ?
C82 O9 C71 C76 -90.2(5) . . . . ?
C82 O9 C71 C72 94.3(5) . . . . ?
O9 C71 C72 C73 177.1(4) . . . . ?
C76 C71 C72 C73 1.7(7) . . . . ?
O9 C71 C72 C57 0.7(7) . . . . ?
C76 C71 C72 C57 -174.7(4) . . . . ?
C56 C57 C72 C73 -98.3(5) . . . . ?
C56 C57 C72 C71 78.0(6) . . . . ?
C71 C72 C73 C74 -0.1(8) . . . . ?
C57 C72 C73 C74 176.3(5) . . . . ?
C72 C73 C74 C75 -0.3(8) . . . . ?
C72 C73 C74 C78 -179.7(5) . . . . ?
C73 C74 C75 C76 -0.9(8) . . . . ?
C78 C74 C75 C76 178.5(5) . . . . ?
C74 C75 C76 C71 2.4(8) . . . . ?
C74 C75 C76 C77 -175.1(5) . . . . ?
O9 C71 C76 C75 -178.2(4) . . . . ?
C72 C71 C76 C75 -2.8(7) . . . . ?
O9 C71 C76 C77 -0.7(7) . . . . ?
C72 C71 C76 C77 174.7(4) . . . . ?
C13 C12 C77 C76 -70.2(5) . . . . ?
C11 C12 C77 C76 106.5(5) . . . . ?
C75 C76 C77 C12 100.9(5) . . . . ?
C71 C76 C77 C12 -76.5(6) . . . . ?
C75 C74 C78 C81 -0.5(15) . . . . ?
C73 C74 C78 C81 178.8(13) . . . . ?
C75 C74 C78 C79 126.7(10) . . . . ?
C73 C74 C78 C79 -53.9(10) . . . . ?
C75 C74 C78 C80 -126.8(7) . . . . ?
C73 C74 C78 C80 52.6(9) . . . . ?
C71 O9 C82 C83 -175.3(4) . . . . ?
C84 O10 C83 C82 -179.1(4) . . . . ?
O9 C82 C83 O10 -174.2(4) . . . . ?
C83 O10 C84 C85 -179.9(4) . . . . ?
O3 P1 C111 C116 10.9(5) . . . . ?
C121 P1 C111 C116 134.3(4) . . . . ?
C18 P1 C111 C116 -113.1(4) . . . . ?
O3 P1 C111 C112 -169.3(4) . . . . ?
C121 P1 C111 C112 -45.9(5) . . . . ?
C18 P1 C111 C112 66.6(5) . . . . ?
C116 C111 C112 C113 1.1(8) . . . . ?
P1 C111 C112 C113 -178.7(5) . . . . ?
C111 C112 C113 C114 -1.4(10) . . . . ?
C112 C113 C114 C115 1.2(11) . . . . ?
C113 C114 C115 C116 -0.6(10) . . . . ?
C112 C111 C116 C115 -0.5(8) . . . . ?
P1 C111 C116 C115 179.3(5) . . . . ?
C114 C115 C116 C111 0.3(10) . . . . ?
O3 P1 C121 C122 -139.0(4) . . . . ?
C111 P1 C121 C122 99.7(5) . . . . ?
C18 P1 C121 C122 -11.8(5) . . . . ?
O3 P1 C121 C126 45.3(5) . . . . ?
C111 P1 C121 C126 -76.0(4) . . . . ?
C18 P1 C121 C126 172.5(4) . . . . ?
C126 C121 C122 C123 1.8(8) . . . . ?
P1 C121 C122 C123 -173.9(4) . . . . ?
C121 C122 C123 C124 -0.5(9) . . . . ?
C122 C123 C124 C125 0.1(9) . . . . ?
C123 C124 C125 C126 -1.2(9) . . . . ?
C124 C125 C126 C121 2.6(9) . . . . ?
C122 C121 C126 C125 -2.9(8) . . . . ?
P1 C121 C126 C125 173.1(4) . . . . ?
O8 P2 C131 C132 45.3(4) . . . . ?
C58 P2 C131 C132 -77.9(4) . . . . ?
C141 P2 C131 C132 168.9(4) . . . . ?
O8 P2 C131 C136 -134.6(4) . . . . ?
C58 P2 C131 C136 102.2(4) . . . . ?
C141 P2 C131 C136 -11.0(4) . . . . ?
C136 C131 C132 C133 -0.6(7) . . . . ?
P2 C131 C132 C133 179.5(4) . . . . ?
C131 C132 C133 C134 0.3(7) . . . . ?
C132 C133 C134 C135 0.1(7) . . . . ?
C133 C134 C135 C136 -0.3(7) . . . . ?
C134 C135 C136 C131 0.1(7) . . . . ?
C132 C131 C136 C135 0.4(7) . . . . ?
P2 C131 C136 C135 -179.7(3) . . . . ?
O8 P2 C141 C142 17.9(5) . . . . ?
C131 P2 C141 C142 -105.6(4) . . . . ?
C58 P2 C141 C142 142.8(4) . . . . ?
O8 P2 C141 C146 -164.0(4) . . . . ?
C131 P2 C141 C146 72.5(5) . . . . ?
C58 P2 C141 C146 -39.1(5) . . . . ?
C146 C141 C142 C143 0.8(8) . . . . ?
P2 C141 C142 C143 178.9(4) . . . . ?
C141 C142 C143 C144 -0.3(9) . . . . ?
C142 C143 C144 C145 0.1(10) . . . . ?
C143 C144 C145 C146 -0.4(9) . . . . ?
C144 C145 C146 C141 0.9(8) . . . . ?
C142 C141 C146 C145 -1.1(8) . . . . ?
P2 C141 C146 C145 -179.1(4) . . . . ?
Cl87 C97 Cl89 Cl88 -104(4) . . . 2_657 ?
