#------------------------------------------------------------------------------
#$Date: 2019-11-23 06:36:06 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232338 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/74/4347490.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_4347490
loop_
_publ_author_name
'Hinz, Alexander'
'Schulz, Axel'
'Villinger, Alexander'
_publ_section_title
;
 Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As,
 Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3692
_journal_page_last               3699
_journal_paper_doi               10.1021/acs.inorgchem.6b00218
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C48 H50 As2 Cl2 P2, 0.11 (C H2 Cl2)'
_chemical_formula_sum            'C48.11 H50.22 As2 Cl2.22 P2'
_chemical_formula_weight         918.98
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 101.628(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.4408(10)
_cell_length_b                   14.2572(6)
_cell_length_c                   24.9872(12)
_cell_measurement_reflns_used    2503
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      21.33
_cell_measurement_theta_min      2.44
_cell_volume                     8877.2(7)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex Kappa-II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2065
_diffrn_reflns_av_unetI/netI     0.1617
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            90032
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.646
_exptl_absorpt_coefficient_mu    1.744
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6521
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_description       block
_exptl_crystal_F_000             3781
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1111
_refine_ls_number_reflns         16515
_refine_ls_number_restraints     297
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1518
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0332P)²+1.2314P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1393
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8556
_reflns_number_total             16515
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00218_si_002.cif
_cod_data_source_block           ah323a_2_Ter2P2As2Cl2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4347490
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.792
_shelx_estimated_absorpt_t_max   0.903
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.39638(3) 0.30574(5) 0.34249(3) 0.02647(18) Uani 1 1 d . . . . .
As2 As 0.29909(3) 0.31751(5) 0.24224(3) 0.02779(19) Uani 1 1 d . . . . .
As3A As 0.09284(3) 0.79437(7) 0.13548(3) 0.0227(2) Uani 0.974(2) 1 d D . P . .
As3B As 0.1044(11) 0.849(3) 0.1447(12) 0.0227(2) Uani 0.026(2) 1 d D . P . .
As4A As 0.18728(3) 0.84290(7) 0.23268(3) 0.0239(2) Uani 0.974(2) 1 d D . P . .
As4B As 0.1914(14) 0.797(3) 0.2373(14) 0.0239(2) Uani 0.026(2) 1 d D . P . .
Cl1 Cl 0.45900(7) 0.41232(12) 0.37365(8) 0.0366(5) Uani 1 1 d . . . . .
Cl2 Cl 0.29712(7) 0.17465(11) 0.28130(8) 0.0377(5) Uani 1 1 d . . . . .
Cl3A Cl 0.0621(1) 0.6547(1) 0.1028(1) 0.0356(5) Uani 0.974(2) 1 d D . P . .
Cl4A Cl 0.1526(1) 0.9812(1) 0.1961(1) 0.0355(5) Uani 0.974(2) 1 d D . P . .
Cl3B Cl 0.073(3) 0.714(4) 0.105(3) 0.0356(5) Uani 0.0259(19) 1 d D . P . .
Cl4B Cl 0.160(3) 0.944(3) 0.214(3) 0.0355(5) Uani 0.0259(19) 1 d D . P . .
P1 P 0.32296(7) 0.40853(12) 0.32077(7) 0.0233(4) Uani 1 1 d . . . . .
P2 P 0.39207(7) 0.32975(12) 0.24882(8) 0.0277(4) Uani 1 1 d . . . . .
P3 P 0.18440(7) 0.75600(11) 0.15256(7) 0.0207(4) Uani 1 1 d . . . . .
P4 P 0.10818(7) 0.75743(11) 0.22911(7) 0.0203(4) Uani 1 1 d . . . . .
C1 C 0.2740(2) 0.3827(4) 0.3637(3) 0.0218(15) Uani 1 1 d . . . . .
C2 C 0.2183(3) 0.3908(4) 0.3406(3) 0.0248(16) Uani 1 1 d . . . . .
C3 C 0.1812(3) 0.3843(5) 0.3744(3) 0.0339(18) Uani 1 1 d . . . . .
H3 H 0.1439 0.3903 0.3593 0.041 Uiso 1 1 calc R U . . .
C4 C 0.1980(3) 0.3694(5) 0.4299(3) 0.0367(19) Uani 1 1 d . . . . .
H4 H 0.1723 0.3654 0.4526 0.044 Uiso 1 1 calc R U . . .
C5 C 0.2516(3) 0.3604(5) 0.4524(3) 0.0350(18) Uani 1 1 d . . . . .
H5 H 0.2624 0.3489 0.4904 0.042 Uiso 1 1 calc R U . . .
C6 C 0.2904(3) 0.3678(4) 0.4206(3) 0.0260(16) Uani 1 1 d . . . . .
C7 C 0.1974(2) 0.4011(4) 0.2807(3) 0.0228(15) Uani 1 1 d . . . . .
C8 C 0.1716(2) 0.3231(4) 0.2512(3) 0.0264(16) Uani 1 1 d . . . . .
C9 C 0.1526(3) 0.3310(5) 0.1952(3) 0.0297(17) Uani 1 1 d . . . . .
H9 H 0.1361 0.2784 0.1753 0.036 Uiso 1 1 calc R U . . .
C10 C 0.1572(3) 0.4156(5) 0.1676(3) 0.0353(18) Uani 1 1 d . . . . .
C11 C 0.1815(3) 0.4913(5) 0.1975(3) 0.0345(18) Uani 1 1 d . . . . .
H11 H 0.1845 0.5489 0.1793 0.041 Uiso 1 1 calc R U . . .
C12 C 0.2018(3) 0.4856(4) 0.2539(3) 0.0269(16) Uani 1 1 d . . . . .
C13 C 0.1642(3) 0.2313(4) 0.2791(3) 0.0350(18) Uani 1 1 d . . . . .
H13A H 0.1358 0.2383 0.3001 0.052 Uiso 1 1 calc R U . . .
H13B H 0.1978 0.2139 0.3037 0.052 Uiso 1 1 calc R U . . .
H13C H 0.1540 0.1822 0.2514 0.052 Uiso 1 1 calc R U . . .
C14 C 0.1354(3) 0.4226(5) 0.1070(3) 0.046(2) Uani 1 1 d . . . . .
H14A H 0.0985 0.4465 0.1007 0.070 Uiso 1 1 calc R U . . .
H14B H 0.1356 0.3604 0.0904 0.070 Uiso 1 1 calc R U . . .
H14C H 0.1578 0.4655 0.0906 0.070 Uiso 1 1 calc R U . . .
C15 C 0.2251(3) 0.5730(4) 0.2827(3) 0.0320(18) Uani 1 1 d . . . . .
H15A H 0.2018 0.6265 0.2698 0.048 Uiso 1 1 calc R U . . .
H15B H 0.2609 0.5841 0.2750 0.048 Uiso 1 1 calc R U . . .
H15C H 0.2279 0.5654 0.3222 0.048 Uiso 1 1 calc R U . . .
C16 C 0.3473(2) 0.3608(5) 0.4491(3) 0.0259(16) Uani 1 1 d . . . . .
C17 C 0.3697(3) 0.2724(5) 0.4629(3) 0.0285(17) Uani 1 1 d . . . . .
C18 C 0.4206(3) 0.2669(5) 0.4962(3) 0.0317(17) Uani 1 1 d . . . . .
H18 H 0.4360 0.2070 0.5057 0.038 Uiso 1 1 calc R U . . .
C19 C 0.4499(3) 0.3475(5) 0.5160(3) 0.0355(18) Uani 1 1 d . . . . .
C20 C 0.4275(3) 0.4335(5) 0.5018(3) 0.0304(17) Uani 1 1 d . . . . .
H20 H 0.4466 0.4887 0.5152 0.037 Uiso 1 1 calc R U . . .
C21 C 0.3769(3) 0.4409(5) 0.4679(3) 0.0260(16) Uani 1 1 d . . . . .
C22 C 0.3391(3) 0.1840(4) 0.4430(3) 0.0380(19) Uani 1 1 d . . . . .
H22A H 0.3078 0.1784 0.4602 0.057 Uiso 1 1 calc R U . . .
H22B H 0.3625 0.1295 0.4528 0.057 Uiso 1 1 calc R U . . .
H22C H 0.3272 0.1867 0.4033 0.057 Uiso 1 1 calc R U . . .
C23 C 0.5041(3) 0.3372(5) 0.5534(3) 0.049(2) Uani 1 1 d . . . . .
H23A H 0.5031 0.3659 0.5889 0.074 Uiso 1 1 calc R U . . .
H23B H 0.5313 0.3686 0.5372 0.074 Uiso 1 1 calc R U . . .
H23C H 0.5130 0.2705 0.5586 0.074 Uiso 1 1 calc R U . . .
C24 C 0.3558(3) 0.5378(4) 0.4511(3) 0.0317(17) Uani 1 1 d . . . . .
H24A H 0.3679 0.5568 0.4179 0.048 Uiso 1 1 calc R U . . .
H24B H 0.3694 0.5823 0.4806 0.048 Uiso 1 1 calc R U . . .
H24C H 0.3165 0.5371 0.4440 0.048 Uiso 1 1 calc R U . . .
C25A C 0.4113(9) 0.2170(12) 0.2208(6) 0.0233(17) Uani 0.722(14) 1 d D U P A 1
C26A C 0.4486(5) 0.1524(9) 0.2489(5) 0.0281(17) Uani 0.722(14) 1 d D U P A 1
C27A C 0.4595(7) 0.0717(10) 0.2215(5) 0.028(2) Uani 0.722(14) 1 d D U P A 1
H27A H 0.4837 0.0266 0.2406 0.034 Uiso 0.722(14) 1 calc R U P A 1
C28A C 0.4364(9) 0.0554(11) 0.1676(5) 0.029(2) Uani 0.722(14) 1 d D U P A 1
H28A H 0.4442 -0.0005 0.1500 0.034 Uiso 0.722(14) 1 calc R U P A 1
C29A C 0.4017(7) 0.1213(11) 0.1394(6) 0.029(2) Uani 0.722(14) 1 d D U P A 1
H29A H 0.3867 0.1118 0.1017 0.034 Uiso 0.722(14) 1 calc R U P A 1
C30A C 0.3884(6) 0.2015(9) 0.1655(5) 0.0266(16) Uani 0.722(14) 1 d D U P A 1
C31A C 0.4791(5) 0.1622(9) 0.3070(5) 0.0303(19) Uani 0.722(14) 1 d D U P A 1
C32A C 0.4683(5) 0.1017(10) 0.3475(5) 0.033(2) Uani 0.722(14) 1 d D U P A 1
C33A C 0.5007(5) 0.1071(9) 0.4000(5) 0.039(2) Uani 0.722(14) 1 d D U P A 1
H33A H 0.4938 0.0669 0.4281 0.047 Uiso 0.722(14) 1 calc R U P A 1
C34A C 0.5428(4) 0.1714(9) 0.4111(5) 0.042(3) Uani 0.722(14) 1 d D U P A 1
C35A C 0.5523(4) 0.2300(9) 0.3709(5) 0.039(2) Uani 0.722(14) 1 d D U P A 1
H35A H 0.5810 0.2736 0.3791 0.047 Uiso 0.722(14) 1 calc R U P A 1
C36A C 0.5213(4) 0.2279(8) 0.3183(5) 0.032(2) Uani 0.722(14) 1 d D U P A 1
C37A C 0.4254(6) 0.0288(10) 0.3359(6) 0.037(3) Uani 0.722(14) 1 d D U P A 1
H37A H 0.3909 0.0588 0.3211 0.056 Uiso 0.722(14) 1 calc R U P A 1
H37B H 0.4233 -0.0043 0.3697 0.056 Uiso 0.722(14) 1 calc R U P A 1
H37C H 0.4340 -0.0161 0.3092 0.056 Uiso 0.722(14) 1 calc R U P A 1
C38A C 0.5783(5) 0.1731(10) 0.4679(5) 0.061(4) Uani 0.722(14) 1 d D U P A 1
H38A H 0.5562 0.1636 0.4953 0.092 Uiso 0.722(14) 1 calc R U P A 1
H38B H 0.5966 0.2338 0.4740 0.092 Uiso 0.722(14) 1 calc R U P A 1
H38C H 0.6051 0.1229 0.4709 0.092 Uiso 0.722(14) 1 calc R U P A 1
C39A C 0.5326(5) 0.2973(9) 0.2772(5) 0.039(3) Uani 0.722(14) 1 d D U P A 1
H39A H 0.5315 0.2656 0.2422 0.059 Uiso 0.722(14) 1 calc R U P A 1
H39B H 0.5682 0.3249 0.2900 0.059 Uiso 0.722(14) 1 calc R U P A 1
H39C H 0.5054 0.3469 0.2724 0.059 Uiso 0.722(14) 1 calc R U P A 1
C40A C 0.3549(5) 0.2733(9) 0.1304(6) 0.0305(18) Uani 0.722(14) 1 d D U P A 1
C41A C 0.2991(5) 0.2583(12) 0.1111(10) 0.034(2) Uani 0.722(14) 1 d D U P A 1
C42A C 0.2691(5) 0.3242(10) 0.0765(7) 0.038(2) Uani 0.722(14) 1 d D U P A 1
H42A H 0.2318 0.3136 0.0637 0.045 Uiso 0.722(14) 1 calc R U P A 1
C43A C 0.2920(5) 0.4042(8) 0.0603(6) 0.040(2) Uani 0.722(14) 1 d D U P A 1
C44A C 0.3465(5) 0.4181(8) 0.0785(6) 0.038(2) Uani 0.722(14) 1 d D U P A 1
H44A H 0.3627 0.4723 0.0666 0.045 Uiso 0.722(14) 1 calc R U P A 1
C45A C 0.3787(5) 0.3546(9) 0.1140(6) 0.032(2) Uani 0.722(14) 1 d D U P A 1
C46A C 0.2703(8) 0.171(2) 0.1262(16) 0.041(3) Uani 0.722(14) 1 d D U P A 1
H46A H 0.2651 0.1267 0.0958 0.062 Uiso 0.722(14) 1 calc R U P A 1
H46B H 0.2354 0.1896 0.1338 0.062 Uiso 0.722(14) 1 calc R U P A 1
H46C H 0.2920 0.1423 0.1588 0.062 Uiso 0.722(14) 1 calc R U P A 1
C47A C 0.2586(6) 0.4730(8) 0.0211(6) 0.045(3) Uani 0.722(14) 1 d D U P A 1
H47A H 0.2519 0.4470 -0.0160 0.067 Uiso 0.722(14) 1 calc R U P A 1
H47B H 0.2781 0.5325 0.0217 0.067 Uiso 0.722(14) 1 calc R U P A 1
H47C H 0.2243 0.4840 0.0322 0.067 Uiso 0.722(14) 1 calc R U P A 1
C48A C 0.4379(5) 0.3715(11) 0.1305(7) 0.041(3) Uani 0.722(14) 1 d D U P A 1
H48A H 0.4470 0.3870 0.1695 0.062 Uiso 0.722(14) 1 calc R U P A 1
H48B H 0.4481 0.4237 0.1092 0.062 Uiso 0.722(14) 1 calc R U P A 1
H48C H 0.4574 0.3148 0.1237 0.062 Uiso 0.722(14) 1 calc R U P A 1
C25B C 0.406(2) 0.224(3) 0.2123(14) 0.0233(17) Uani 0.278(14) 1 d D . P A 2
C26B C 0.4446(13) 0.161(2) 0.2392(10) 0.0281(17) Uani 0.278(14) 1 d D . P A 2
C27B C 0.4580(18) 0.084(3) 0.2098(13) 0.028(2) Uani 0.278(14) 1 d D . P A 2
H27B H 0.4867 0.0443 0.2264 0.034 Uiso 0.278(14) 1 calc R U P A 2
C28B C 0.431(2) 0.064(3) 0.1574(14) 0.029(2) Uani 0.278(14) 1 d D . P A 2
H28B H 0.4400 0.0103 0.1389 0.034 Uiso 0.278(14) 1 calc R U P A 2
C29B C 0.3912(19) 0.125(3) 0.1323(13) 0.029(2) Uani 0.278(14) 1 d D . P A 2
H29B H 0.3702 0.1090 0.0975 0.034 Uiso 0.278(14) 1 calc R U P A 2
C30B C 0.3815(16) 0.208(2) 0.1575(12) 0.0266(16) Uani 0.278(14) 1 d D . P A 2
C31B C 0.4807(12) 0.177(2) 0.2942(10) 0.0303(19) Uani 0.278(14) 1 d D . P A 2
C32B C 0.4742(13) 0.125(3) 0.3395(10) 0.033(2) Uani 0.278(14) 1 d D . P A 2
C33B C 0.5121(12) 0.136(2) 0.3884(10) 0.039(2) Uani 0.278(14) 1 d D . P A 2
H33B H 0.5108 0.0960 0.4187 0.047 Uiso 0.278(14) 1 calc R U P A 2
C34B C 0.5516(12) 0.204(2) 0.3927(10) 0.042(3) Uani 0.278(14) 1 d D . P A 2
C35B C 0.5555(10) 0.258(2) 0.3483(10) 0.039(2) Uani 0.278(14) 1 d D . P A 2
H35B H 0.5836 0.3026 0.3514 0.047 Uiso 0.278(14) 1 calc R U P A 2
C36B C 0.5197(12) 0.249(2) 0.2989(10) 0.032(2) Uani 0.278(14) 1 d D . P A 2
C37B C 0.4297(15) 0.056(3) 0.3375(15) 0.037(3) Uani 0.278(14) 1 d D . P A 2
H37D H 0.4137 0.0638 0.3698 0.056 Uiso 0.278(14) 1 calc R U P A 2
H37E H 0.4438 -0.0081 0.3370 0.056 Uiso 0.278(14) 1 calc R U P A 2
H37F H 0.4022 0.0665 0.3045 0.056 Uiso 0.278(14) 1 calc R U P A 2
C38B C 0.5894(13) 0.220(2) 0.4472(11) 0.061(4) Uani 0.278(14) 1 d D . P A 2
H38D H 0.5685 0.2307 0.4755 0.092 Uiso 0.278(14) 1 calc R U P A 2
H38E H 0.6123 0.2741 0.4448 0.092 Uiso 0.278(14) 1 calc R U P A 2
H38F H 0.6119 0.1639 0.4566 0.092 Uiso 0.278(14) 1 calc R U P A 2
C39B C 0.5245(14) 0.310(2) 0.2512(12) 0.039(3) Uani 0.278(14) 1 d D . P A 2
H39D H 0.5133 0.2746 0.2172 0.059 Uiso 0.278(14) 1 calc R U P A 2
H39E H 0.5618 0.3301 0.2546 0.059 Uiso 0.278(14) 1 calc R U P A 2
H39F H 0.5014 0.3652 0.2507 0.059 Uiso 0.278(14) 1 calc R U P A 2
C40B C 0.3437(12) 0.276(2) 0.1238(15) 0.0305(18) Uani 0.278(14) 1 d D . P A 2
C41B C 0.2883(13) 0.253(3) 0.107(3) 0.034(2) Uani 0.278(14) 1 d D . P A 2
C42B C 0.2541(12) 0.313(3) 0.072(2) 0.038(2) Uani 0.278(14) 1 d D . P A 2
H42B H 0.2169 0.2987 0.0629 0.045 Uiso 0.278(14) 1 calc R U P A 2
C43B C 0.2731(11) 0.392(2) 0.0509(15) 0.040(2) Uani 0.278(14) 1 d D . P A 2
C44B C 0.3267(11) 0.415(2) 0.0677(15) 0.038(2) Uani 0.278(14) 1 d D . P A 2
H44B H 0.3395 0.4716 0.0543 0.045 Uiso 0.278(14) 1 calc R U P A 2
C45B C 0.3630(11) 0.359(2) 0.1040(16) 0.032(2) Uani 0.278(14) 1 d D . P A 2
C46B C 0.2638(19) 0.167(5) 0.129(4) 0.041(3) Uani 0.278(14) 1 d D . P A 2
H46D H 0.2740 0.1106 0.1108 0.062 Uiso 0.278(14) 1 calc R U P A 2
H46E H 0.2246 0.1726 0.1211 0.062 Uiso 0.278(14) 1 calc R U P A 2
H46F H 0.2770 0.1615 0.1684 0.062 Uiso 0.278(14) 1 calc R U P A 2
C47B C 0.2360(13) 0.454(2) 0.0103(16) 0.045(3) Uani 0.278(14) 1 d D . P A 2
H47D H 0.2564 0.5065 -0.0004 0.067 Uiso 0.278(14) 1 calc R U P A 2
H47E H 0.2072 0.4780 0.0273 0.067 Uiso 0.278(14) 1 calc R U P A 2
H47F H 0.2204 0.4170 -0.0221 0.067 Uiso 0.278(14) 1 calc R U P A 2
C48B C 0.4208(11) 0.386(3) 0.118(2) 0.041(3) Uani 0.278(14) 1 d D . P A 2
H48D H 0.4257 0.4364 0.1453 0.062 Uiso 0.278(14) 1 calc R U P A 2
H48E H 0.4321 0.4089 0.0848 0.062 Uiso 0.278(14) 1 calc R U P A 2
H48F H 0.4426 0.3320 0.1324 0.062 Uiso 0.278(14) 1 calc R U P A 2
C49 C 0.2197(2) 0.8301(4) 0.1114(3) 0.0192(15) Uani 1 1 d . . . . .
C50 C 0.2746(2) 0.8452(4) 0.1326(3) 0.0188(15) Uani 1 1 d . . . . .
C51 C 0.3045(3) 0.9036(4) 0.1050(3) 0.0270(16) Uani 1 1 d . . . . .
H51 H 0.3411 0.9162 0.1202 0.032 Uiso 1 1 calc R U . . .
C52 C 0.2806(3) 0.9426(5) 0.0558(3) 0.0332(18) Uani 1 1 d . . . . .
H52 H 0.3009 0.9830 0.0375 0.040 Uiso 1 1 calc R U . . .
C53 C 0.2278(3) 0.9241(4) 0.0325(3) 0.0294(17) Uani 1 1 d . . . . .
H53 H 0.2121 0.9504 -0.0019 0.035 Uiso 1 1 calc R U . . .
C54 C 0.1971(3) 0.8661(4) 0.0600(3) 0.0243(16) Uani 1 1 d . . . . .
C55 C 0.3035(2) 0.7983(4) 0.1836(3) 0.0253(16) Uani 1 1 d . . . . .
C56 C 0.3183(2) 0.7018(4) 0.1821(3) 0.0232(15) Uani 1 1 d . . . . .
C57 C 0.3471(3) 0.6615(5) 0.2291(3) 0.0320(18) Uani 1 1 d . . . . .
H57 H 0.3574 0.5976 0.2280 0.038 Uiso 1 1 calc R U . . .
C58 C 0.3619(3) 0.7109(5) 0.2783(3) 0.0352(18) Uani 1 1 d . . . . .
C59 C 0.3470(3) 0.8032(5) 0.2786(3) 0.0340(18) Uani 1 1 d . . . . .
H59 H 0.3563 0.8376 0.3117 0.041 Uiso 1 1 calc R U . . .
C60 C 0.3190(2) 0.8486(4) 0.2323(3) 0.0243(16) Uani 1 1 d . . . . .
C61 C 0.3040(3) 0.6453(4) 0.1308(3) 0.0333(18) Uani 1 1 d . . . . .
H61A H 0.3282 0.5915 0.1329 0.050 Uiso 1 1 calc R U . . .
H61B H 0.3073 0.6845 0.0994 0.050 Uiso 1 1 calc R U . . .
H61C H 0.2669 0.6229 0.1263 0.050 Uiso 1 1 calc R U . . .
C62 C 0.3952(3) 0.6638(5) 0.3269(3) 0.052(2) Uani 1 1 d . . . . .
H62A H 0.3946 0.7012 0.3596 0.078 Uiso 1 1 calc R U . . .
H62B H 0.4322 0.6581 0.3216 0.078 Uiso 1 1 calc R U . . .
H62C H 0.3807 0.6013 0.3312 0.078 Uiso 1 1 calc R U . . .
C63 C 0.3066(3) 0.9522(4) 0.2349(3) 0.0315(18) Uani 1 1 d . . . . .
H63A H 0.2716 0.9653 0.2114 0.047 Uiso 1 1 calc R U . . .
H63B H 0.3344 0.9886 0.2222 0.047 Uiso 1 1 calc R U . . .
H63C H 0.3058 0.9696 0.2726 0.047 Uiso 1 1 calc R U . . .
C64 C 0.1415(3) 0.8441(4) 0.0296(3) 0.0248(16) Uani 1 1 d . . . . .
C65 C 0.1016(3) 0.9136(5) 0.0199(3) 0.0283(17) Uani 1 1 d . . . . .
C66 C 0.0517(3) 0.8912(5) -0.0121(2) 0.0278(17) Uani 1 1 d . . . . .
H66 H 0.0244 0.9378 -0.0174 0.033 Uiso 1 1 calc R U . . .
C67 C 0.0399(3) 0.8045(5) -0.0366(3) 0.0359(18) Uani 1 1 d . . . . .
C68 C 0.0800(3) 0.7363(5) -0.0257(3) 0.0378(19) Uani 1 1 d . . . . .
H68 H 0.0726 0.6752 -0.0405 0.045 Uiso 1 1 calc R U . . .
C69 C 0.1301(3) 0.7543(5) 0.0061(3) 0.0283(17) Uani 1 1 d . . . . .
C70 C 0.1118(3) 1.0100(4) 0.0444(3) 0.041(2) Uani 1 1 d . . . . .
H70A H 0.1245 1.0045 0.0840 0.061 Uiso 1 1 calc R U . . .
H70B H 0.0784 1.0463 0.0368 0.061 Uiso 1 1 calc R U . . .
H70C H 0.1390 1.0418 0.0283 0.061 Uiso 1 1 calc R U . . .
C71 C -0.0134(3) 0.7847(5) -0.0732(3) 0.052(2) Uani 1 1 d . . . . .
H71A H -0.0234 0.8374 -0.0983 0.078 Uiso 1 1 calc R U . . .
H71B H -0.0407 0.7765 -0.0509 0.078 Uiso 1 1 calc R U . . .
H71C H -0.0109 0.7273 -0.0941 0.078 Uiso 1 1 calc R U . . .
C72 C 0.1719(3) 0.6771(4) 0.0144(3) 0.0343(18) Uani 1 1 d . . . . .
H72A H 0.1698 0.6419 0.0476 0.051 Uiso 1 1 calc R U . . .
H72B H 0.2077 0.7048 0.0181 0.051 Uiso 1 1 calc R U . . .
H72C H 0.1651 0.6347 -0.0171 0.051 Uiso 1 1 calc R U . . .
C73 C 0.0666(2) 0.8319(4) 0.2648(2) 0.0189(15) Uani 1 1 d . . . . .
C74 C 0.0122(2) 0.8488(4) 0.2417(2) 0.0192(14) Uani 1 1 d . . . . .
C75 C -0.0188(3) 0.8994(4) 0.2726(3) 0.0244(16) Uani 1 1 d . . . . .
H75 H -0.0555 0.9107 0.2575 0.029 Uiso 1 1 calc R U . . .
C76 C 0.0023(3) 0.9324(4) 0.3234(3) 0.0254(16) Uani 1 1 d . . . . .
H76 H -0.0190 0.9686 0.3428 0.031 Uiso 1 1 calc R U . . .
C77 C 0.0556(3) 0.9124(4) 0.3466(3) 0.0268(16) Uani 1 1 d . . . . .
H77 H 0.0701 0.9337 0.3825 0.032 Uiso 1 1 calc R U . . .
C78 C 0.0883(2) 0.8613(4) 0.3179(2) 0.0183(14) Uani 1 1 d . . . . .
C79 C -0.0150(2) 0.8112(5) 0.1879(3) 0.0233(15) Uani 1 1 d . . . . .
C80 C -0.0260(2) 0.8671(5) 0.1414(3) 0.0281(17) Uani 1 1 d . . . . .
C81 C -0.0538(3) 0.8289(5) 0.0925(3) 0.0372(19) Uani 1 1 d . . . . .
H81 H -0.0615 0.8673 0.0608 0.045 Uiso 1 1 calc R U . . .
C82 C -0.0705(3) 0.7365(6) 0.0891(3) 0.038(2) Uani 1 1 d . . . . .
C83 C -0.0607(3) 0.6822(5) 0.1353(3) 0.0371(19) Uani 1 1 d . . . . .
H83 H -0.0733 0.6193 0.1334 0.044 Uiso 1 1 calc R U . . .
C84 C -0.0329(2) 0.7166(4) 0.1844(3) 0.0242(16) Uani 1 1 d . . . . .
C85 C -0.0083(3) 0.9691(5) 0.1445(3) 0.041(2) Uani 1 1 d . . . . .
H85A H 0.0293 0.9733 0.1633 0.061 Uiso 1 1 calc R U . . .
H85B H -0.0307 1.0053 0.1647 0.061 Uiso 1 1 calc R U . . .
H85C H -0.0122 0.9945 0.1075 0.061 Uiso 1 1 calc R U . . .
C86 C -0.0996(3) 0.6966(6) 0.0349(3) 0.068(3) Uani 1 1 d . . . . .
H86A H -0.1126 0.7480 0.0097 0.101 Uiso 1 1 calc R U . . .
H86B H -0.1302 0.6588 0.0407 0.101 Uiso 1 1 calc R U . . .
H86C H -0.0750 0.6571 0.0193 0.101 Uiso 1 1 calc R U . . .
C87 C -0.0228(3) 0.6538(4) 0.2339(3) 0.0360(18) Uani 1 1 d . . . . .
H87A H -0.0346 0.6854 0.2642 0.054 Uiso 1 1 calc R U . . .
H87B H 0.0157 0.6402 0.2443 0.054 Uiso 1 1 calc R U . . .
H87C H -0.0427 0.5951 0.2254 0.054 Uiso 1 1 calc R U . . .
C88 C 0.1439(2) 0.8390(4) 0.3474(2) 0.0189(15) Uani 1 1 d . . . . .
C89 C 0.1573(2) 0.7468(4) 0.3658(2) 0.0225(15) Uani 1 1 d . . . . .
C90 C 0.2095(3) 0.7284(5) 0.3939(3) 0.0306(17) Uani 1 1 d . . . . .
H90 H 0.2184 0.6666 0.4068 0.037 Uiso 1 1 calc R U . . .
C91 C 0.2487(3) 0.7975(5) 0.4035(3) 0.0331(18) Uani 1 1 d . . . . .
C92 C 0.2344(2) 0.8876(5) 0.3858(3) 0.0276(17) Uani 1 1 d . . . . .
H92 H 0.2606 0.9359 0.3928 0.033 Uiso 1 1 calc R U . . .
C93 C 0.1830(2) 0.9096(4) 0.3581(2) 0.0188(14) Uani 1 1 d . . . . .
C94 C 0.1172(2) 0.6679(4) 0.3582(3) 0.0252(16) Uani 1 1 d . . . . .
H94A H 0.1213 0.6302 0.3265 0.038 Uiso 1 1 calc R U . . .
H94B H 0.0808 0.6938 0.3521 0.038 Uiso 1 1 calc R U . . .
H94C H 0.1235 0.6283 0.3909 0.038 Uiso 1 1 calc R U . . .
C95 C 0.3046(3) 0.7747(5) 0.4337(3) 0.057(2) Uani 1 1 d . . . . .
H95A H 0.3243 0.8331 0.4443 0.085 Uiso 1 1 calc R U . . .
H95B H 0.3231 0.7380 0.4100 0.085 Uiso 1 1 calc R U . . .
H95C H 0.3027 0.7383 0.4665 0.085 Uiso 1 1 calc R U . . .
C96 C 0.1712(3) 1.0111(4) 0.3417(3) 0.0334(18) Uani 1 1 d . . . . .
H96A H 0.1595 1.0445 0.3716 0.050 Uiso 1 1 calc R U . . .
H96B H 0.1427 1.0136 0.3089 0.050 Uiso 1 1 calc R U . . .
H96C H 0.2036 1.0407 0.3342 0.050 Uiso 1 1 calc R U . . .
C97 C 0.0083(16) -0.036(5) 0.482(3) 0.083(5) Uiso 0.159(4) 1 d D . P . .
H97A H -0.0137 -0.0276 0.4450 0.099 Uiso 0.159(4) 1 calc R U P . .
H97B H 0.0111 -0.1039 0.4896 0.099 Uiso 0.159(4) 1 calc R U P . .
Cl5 Cl -0.0239(8) 0.0110(13) 0.5249(9) 0.083(5) Uiso 0.159(4) 1 d D . P . .
Cl6 Cl 0.0681(7) 0.0034(11) 0.4818(7) 0.083(5) Uiso 0.159(4) 1 d D . P . .
C98 C 0.4850(18) -0.064(8) 0.479(7) 0.135(19) Uiso 0.067(4) 1 d D . P . .
H98A H 0.4889 -0.0677 0.4408 0.162 Uiso 0.067(4) 1 calc R U P . .
H98B H 0.4919 -0.1282 0.4950 0.162 Uiso 0.067(4) 1 calc R U P . .
Cl7 Cl 0.5313(15) 0.005(4) 0.512(2) 0.135(19) Uiso 0.067(4) 1 d D . P . .
Cl8 Cl 0.4232(16) -0.038(4) 0.480(2) 0.135(19) Uiso 0.067(4) 1 d 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'
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'
As As 0.0499 2.0058 '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
Cl1 As1 P2 97.79(7) . .
Cl1 As1 P1 97.74(7) . .
P2 As1 P1 78.66(6) . .
Cl2 As2 P1 99.37(7) . .
Cl2 As2 P2 98.42(7) . .
P1 As2 P2 79.12(6) . .
As3B As3A Cl3B 163(4) . .
As3B As3A Cl3A 174.6(19) . .
Cl3B As3A Cl3A 11(3) . .
As3B As3A P3 83.4(19) . .
Cl3B As3A P3 98(3) . .
Cl3A As3A P3 96.92(7) . .
As3B As3A P4 87.3(19) . .
Cl3B As3A P4 109(3) . .
Cl3A As3A P4 98.05(7) . .
P3 As3A P4 78.89(6) . .
As3A As3B Cl3B 10(2) . .
As3A As3B P3 76.2(19) . .
Cl3B As3B P3 78(2) . .
As3A As3B Cl4B 146(3) . .
Cl3B As3B Cl4B 155(3) . .
P3 As3B Cl4B 83.4(16) . .
As3A As3B P4 72.7(19) . .
Cl3B As3B P4 83(2) . .
P3 As3B P4 75.8(8) . .
Cl4B As3B P4 76.5(17) . .
As3A As3B Cl4A 163(3) . .
Cl3B As3B Cl4A 170(2) . .
P3 As3B Cl4A 93.1(10) . .
Cl4B As3B Cl4A 16.3(13) . .
P4 As3B Cl4A 91.7(10) . .
As3A As3B As4A 111(2) . .
Cl3B As3B As4A 119(2) . .
P3 As3B As4A 54.0(6) . .
Cl4B As3B As4A 36.2(10) . .
P4 As3B As4A 53.3(5) . .
Cl4A As3B As4A 51.7(6) . .
As4B As4A Cl4B 164(4) . .
As4B As4A Cl4A 162(3) . .
Cl4B As4A Cl4A 8(3) . .
As4B As4A P4 66(3) . .
Cl4B As4A P4 98(3) . .
Cl4A As4A P4 100.09(7) . .
As4B As4A P3 67(3) . .
Cl4B As4A P3 107(3) . .
Cl4A As4A P3 99.93(7) . .
P4 As4A P3 79.24(6) . .
As4B As4A As3B 104(3) . .
Cl4B As4A As3B 62(3) . .
Cl4A As4A As3B 58.4(8) . .
P4 As4A As3B 57.6(7) . .
P3 As4A As3B 56.0(7) . .
As4A As4B P4 97(3) . .
As4A As4B P3 97(3) . .
P4 As4B P3 87.2(13) . .
As4A As4B Cl4B 11(3) . .
P4 As4B Cl4B 86(2) . .
P3 As4B Cl4B 93(2) . .
Cl3B Cl3A As3A 18(5) . .
Cl4B Cl4A As4A 18(6) . .
Cl4B Cl4A As3B 79(7) . .
As4A Cl4A As3B 69.9(7) . .
Cl3A Cl3B As3A 151(8) . .
Cl3A Cl3B As3B 157(6) . .
As3A Cl3B As3B 6.2(13) . .
Cl4A Cl4B As4A 154(9) . .
Cl4A Cl4B As4B 154(9) . .
As4A Cl4B As4B 4.7(12) . .
Cl4A Cl4B As3B 85(7) . .
As4A Cl4B As3B 82(3) . .
As4B Cl4B As3B 78(2) . .
C1 P1 As2 106.7(2) . .
C1 P1 As1 109.9(2) . .
As2 P1 As1 84.68(6) . .
C25B P2 As2 101(2) . .
C25A P2 As2 104.3(8) . .
C25B P2 As1 113.7(14) . .
C25A P2 As1 106.6(5) . .
As2 P2 As1 84.42(6) . .
C49 P3 As4B 116.1(10) . .
C49 P3 As4A 103.9(2) . .
As4B P3 As4A 16.6(10) . .
C49 P3 As3A 110.2(2) . .
As4B P3 As3A 89.9(9) . .
As4A P3 As3A 83.75(6) . .
C49 P3 As3B 98.1(8) . .
As4B P3 As3B 80.4(11) . .
As4A P3 As3B 70.1(8) . .
As3A P3 As3B 20.4(9) . .
C73 P4 As4B 116.8(10) . .
C73 P4 As4A 104.73(19) . .
As4B P4 As4A 16.6(10) . .
C73 P4 As3A 110.8(2) . .
As4B P4 As3A 89.9(9) . .
As4A P4 As3A 83.70(6) . .
C73 P4 As3B 100.5(7) . .
As4B P4 As3B 79.2(11) . .
As4A P4 As3B 69.1(7) . .
As3A P4 As3B 20.0(8) . .
C6 C1 C2 119.2(6) . .
C6 C1 P1 121.2(5) . .
C2 C1 P1 118.9(5) . .
C3 C2 C1 119.4(6) . .
C3 C2 C7 117.9(6) . .
C1 C2 C7 122.7(6) . .
C4 C3 C2 120.5(6) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C5 C4 C3 120.4(6) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 121.3(7) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C5 C6 C1 119.1(6) . .
C5 C6 C16 117.2(6) . .
C1 C6 C16 123.7(6) . .
C12 C7 C8 120.1(6) . .
C12 C7 C2 121.4(6) . .
C8 C7 C2 118.5(6) . .
C9 C8 C7 119.3(6) . .
C9 C8 C13 118.9(6) . .
C7 C8 C13 121.8(6) . .
C8 C9 C10 121.1(6) . .
C8 C9 H9 119.4 . .
C10 C9 H9 119.4 . .
C11 C10 C9 118.3(7) . .
C11 C10 C14 121.7(7) . .
C9 C10 C14 120.0(6) . .
C10 C11 C12 122.1(6) . .
C10 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C7 C12 C11 119.0(6) . .
C7 C12 C15 123.3(6) . .
C11 C12 C15 117.7(6) . .
C8 C13 H13A 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C8 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C10 C14 H14A 109.5 . .
C10 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C10 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C21 C16 C17 119.3(6) . .
C21 C16 C6 121.0(6) . .
C17 C16 C6 119.3(6) . .
C18 C17 C16 118.8(6) . .
C18 C17 C22 120.3(6) . .
C16 C17 C22 121.0(6) . .
C17 C18 C19 121.9(6) . .
C17 C18 H18 119.1 . .
C19 C18 H18 119.1 . .
C20 C19 C18 118.6(6) . .
C20 C19 C23 121.8(7) . .
C18 C19 C23 119.6(7) . .
C19 C20 C21 120.6(7) . .
C19 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
C16 C21 C20 120.8(6) . .
C16 C21 C24 121.2(6) . .
C20 C21 C24 118.0(6) . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C19 C23 H23A 109.5 . .
C19 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C19 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26A C25A C30A 119.5(7) . .
C26A C25A P2 125.6(7) . .
C30A C25A P2 114.7(7) . .
C27A C26A C25A 118.5(7) . .
C27A C26A C31A 115.7(7) . .
C25A C26A C31A 125.8(7) . .
C28A C27A C26A 122.0(8) . .
C28A C27A H27A 119.0 . .
C26A C27A H27A 119.0 . .
C27A C28A C29A 119.3(7) . .
C27A C28A H28A 120.4 . .
C29A C28A H28A 120.4 . .
C28A C29A C30A 120.6(8) . .
C28A C29A H29A 119.7 . .
C30A C29A H29A 119.7 . .
C29A C30A C25A 119.9(7) . .
C29A C30A C40A 116.8(8) . .
C25A C30A C40A 122.9(7) . .
C32A C31A C36A 121.2(8) . .
C32A C31A C26A 120.1(7) . .
C36A C31A C26A 118.5(8) . .
C31A C32A C33A 118.5(8) . .
C31A C32A C37A 122.1(8) . .
C33A C32A C37A 119.3(9) . .
C34A C33A C32A 120.4(10) . .
C34A C33A H33A 119.8 . .
C32A C33A H33A 119.8 . .
C35A C34A C33A 119.8(9) . .
C35A C34A C38A 121.2(10) . .
C33A C34A C38A 119.0(11) . .
C34A C35A C36A 122.2(10) . .
C34A C35A H35A 118.9 . .
C36A C35A H35A 118.9 . .
C35A C36A C31A 117.8(9) . .
C35A C36A C39A 119.1(8) . .
C31A C36A C39A 123.1(8) . .
C32A C37A H37A 109.5 . .
C32A C37A H37B 109.5 . .
H37A C37A H37B 109.5 . .
C32A C37A H37C 109.5 . .
H37A C37A H37C 109.5 . .
H37B C37A H37C 109.5 . .
C34A C38A H38A 109.5 . .
C34A C38A H38B 109.5 . .
H38A C38A H38B 109.5 . .
C34A C38A H38C 109.5 . .
H38A C38A H38C 109.5 . .
H38B C38A H38C 109.5 . .
C36A C39A H39A 109.5 . .
C36A C39A H39B 109.5 . .
H39A C39A H39B 109.5 . .
C36A C39A H39C 109.5 . .
H39A C39A H39C 109.5 . .
H39B C39A H39C 109.5 . .
C45A C40A C41A 119.0(8) . .
C45A C40A C30A 120.4(8) . .
C41A C40A C30A 120.5(7) . .
C42A C41A C40A 119.5(8) . .
C42A C41A C46A 118.1(8) . .
C40A C41A C46A 122.3(8) . .
C43A C42A C41A 121.9(9) . .
C43A C42A H42A 119.0 . .
C41A C42A H42A 119.0 . .
C42A C43A C44A 118.6(9) . .
C42A C43A C47A 120.6(10) . .
C44A C43A C47A 120.7(9) . .
C43A C44A C45A 122.0(8) . .
C43A C44A H44A 119.0 . .
C45A C44A H44A 119.0 . .
C40A C45A C44A 118.9(8) . .
C40A C45A C48A 121.3(8) . .
C44A C45A C48A 119.6(8) . .
C41A C46A H46A 109.5 . .
C41A C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
C41A C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C43A C47A H47A 109.5 . .
C43A C47A H47B 109.5 . .
H47A C47A H47B 109.5 . .
C43A C47A H47C 109.5 . .
H47A C47A H47C 109.5 . .
H47B C47A H47C 109.5 . .
C45A C48A H48A 109.5 . .
C45A C48A H48B 109.5 . .
H48A C48A H48B 109.5 . .
C45A C48A H48C 109.5 . .
H48A C48A H48C 109.5 . .
H48B C48A H48C 109.5 . .
C30B C25B C26B 119.5(11) . .
C30B C25B P2 121.9(14) . .
C26B C25B P2 118.6(14) . .
C27B C26B C25B 118.3(11) . .
C27B C26B C31B 115.7(12) . .
C25B C26B C31B 125.0(12) . .
C28B C27B C26B 122.1(12) . .
C28B C27B H27B 118.9 . .
C26B C27B H27B 118.9 . .
C27B C28B C29B 119.0(11) . .
C27B C28B H28B 120.5 . .
C29B C28B H28B 120.5 . .
C28B C29B C30B 120.5(13) . .
C28B C29B H29B 119.8 . .
C30B C29B H29B 119.8 . .
C29B C30B C25B 119.7(11) . .
C29B C30B C40B 116.7(12) . .
C25B C30B C40B 123.6(12) . .
C32B C31B C36B 121.2(11) . .
C32B C31B C26B 120.2(12) . .
C36B C31B C26B 118.6(12) . .
C31B C32B C33B 118.3(12) . .
C31B C32B C37B 122.7(12) . .
C33B C32B C37B 119.1(13) . .
C34B C33B C32B 120.2(14) . .
C34B C33B H33B 119.9 . .
C32B C33B H33B 119.9 . .
C35B C34B C33B 120.1(13) . .
C35B C34B C38B 120.9(15) . .
C33B C34B C38B 119.0(16) . .
C34B C35B C36B 122.1(14) . .
C34B C35B H35B 119.0 . .
C36B C35B H35B 119.0 . .
C35B C36B C31B 117.7(13) . .
C35B C36B C39B 120.8(13) . .
C31B C36B C39B 121.5(13) . .
C32B C37B H37D 109.5 . .
C32B C37B H37E 109.5 . .
H37D C37B H37E 109.5 . .
C32B C37B H37F 109.5 . .
H37D C37B H37F 109.5 . .
H37E C37B H37F 109.5 . .
C34B C38B H38D 109.5 . .
C34B C38B H38E 109.5 . .
H38D C38B H38E 109.5 . .
C34B C38B H38F 109.5 . .
H38D C38B H38F 109.5 . .
H38E C38B H38F 109.5 . .
C36B C39B H39D 109.5 . .
C36B C39B H39E 109.5 . .
H39D C39B H39E 109.5 . .
C36B C39B H39F 109.5 . .
H39D C39B H39F 109.5 . .
H39E C39B H39F 109.5 . .
C45B C40B C41B 119.1(11) . .
C45B C40B C30B 120.6(12) . .
C41B C40B C30B 120.1(11) . .
C42B C41B C40B 119.7(11) . .
C42B C41B C46B 117.9(12) . .
C40B C41B C46B 122.3(12) . .
C43B C42B C41B 121.5(13) . .
C43B C42B H42B 119.2 . .
C41B C42B H42B 119.2 . .
C42B C43B C44B 118.7(12) . .
C42B C43B C47B 121.0(14) . .
C44B C43B C47B 120.3(13) . .
C43B C44B C45B 122.3(12) . .
C43B C44B H44B 118.8 . .
C45B C44B H44B 118.8 . .
C40B C45B C44B 118.5(12) . .
C40B C45B C48B 122.5(13) . .
C44B C45B C48B 118.9(12) . .
C41B C46B H46D 109.5 . .
C41B C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
C41B C46B H46F 109.5 . .
H46D C46B H46F 109.5 . .
H46E C46B H46F 109.5 . .
C43B C47B H47D 109.5 . .
C43B C47B H47E 109.5 . .
H47D C47B H47E 109.5 . .
C43B C47B H47F 109.5 . .
H47D C47B H47F 109.5 . .
H47E C47B H47F 109.5 . .
C45B C48B H48D 109.5 . .
C45B C48B H48E 109.5 . .
H48D C48B H48E 109.5 . .
C45B C48B H48F 109.5 . .
H48D C48B H48F 109.5 . .
H48E C48B H48F 109.5 . .
C54 C49 C50 119.0(6) . .
C54 C49 P3 124.8(5) . .
C50 C49 P3 116.1(5) . .
C51 C50 C49 120.1(6) . .
C51 C50 C55 117.7(6) . .
C49 C50 C55 122.2(5) . .
C52 C51 C50 119.8(6) . .
C52 C51 H51 120.1 . .
C50 C51 H51 120.1 . .
C51 C52 C53 121.1(6) . .
C51 C52 H52 119.4 . .
C53 C52 H52 119.4 . .
C52 C53 C54 119.8(6) . .
C52 C53 H53 120.1 . .
C54 C53 H53 120.1 . .
C49 C54 C53 119.9(6) . .
C49 C54 C64 124.3(6) . .
C53 C54 C64 115.8(6) . .
C60 C55 C56 119.2(6) . .
C60 C55 C50 121.0(6) . .
C56 C55 C50 119.6(6) . .
C57 C56 C55 118.4(6) . .
C57 C56 C61 120.1(6) . .
C55 C56 C61 121.4(6) . .
C56 C57 C58 122.8(6) . .
C56 C57 H57 118.6 . .
C58 C57 H57 118.6 . .
C59 C58 C57 117.5(7) . .
C59 C58 C62 122.7(7) . .
C57 C58 C62 119.7(7) . .
C58 C59 C60 122.6(7) . .
C58 C59 H59 118.7 . .
C60 C59 H59 118.7 . .
C59 C60 C55 119.4(6) . .
C59 C60 C63 119.6(6) . .
C55 C60 C63 120.9(6) . .
C56 C61 H61A 109.5 . .
C56 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C56 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C58 C62 H62A 109.5 . .
C58 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C58 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C60 C63 H63A 109.5 . .
C60 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C60 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C65 C64 C69 119.1(6) . .
C65 C64 C54 121.1(6) . .
C69 C64 C54 119.6(6) . .
C66 C65 C64 118.7(6) . .
C66 C65 C70 120.3(6) . .
C64 C65 C70 121.0(6) . .
C67 C66 C65 123.3(6) . .
C67 C66 H66 118.4 . .
C65 C66 H66 118.4 . .
C66 C67 C68 116.8(7) . .
C66 C67 C71 121.6(6) . .
C68 C67 C71 121.5(7) . .
C69 C68 C67 122.4(7) . .
C69 C68 H68 118.8 . .
C67 C68 H68 118.8 . .
C68 C69 C64 119.6(6) . .
C68 C69 C72 118.9(6) . .
C64 C69 C72 121.4(6) . .
C65 C70 H70A 109.5 . .
C65 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C65 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C67 C71 H71A 109.5 . .
C67 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C67 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C69 C72 H72A 109.5 . .
C69 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C69 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C78 C73 C74 120.5(5) . .
C78 C73 P4 118.4(4) . .
C74 C73 P4 120.7(5) . .
C73 C74 C75 118.3(6) . .
C73 C74 C79 123.4(5) . .
C75 C74 C79 118.2(5) . .
C76 C75 C74 122.1(6) . .
C76 C75 H75 118.9 . .
C74 C75 H75 118.9 . .
C75 C76 C77 119.1(6) . .
C75 C76 H76 120.5 . .
C77 C76 H76 120.5 . .
C76 C77 C78 121.4(6) . .
C76 C77 H77 119.3 . .
C78 C77 H77 119.3 . .
C73 C78 C77 118.5(6) . .
C73 C78 C88 124.1(5) . .
C77 C78 C88 117.3(6) . .
C80 C79 C84 119.1(6) . .
C80 C79 C74 121.9(6) . .
C84 C79 C74 119.0(6) . .
C79 C80 C81 119.3(6) . .
C79 C80 C85 120.0(6) . .
C81 C80 C85 120.8(6) . .
C82 C81 C80 121.5(7) . .
C82 C81 H81 119.3 . .
C80 C81 H81 119.3 . .
C83 C82 C81 119.1(7) . .
C83 C82 C86 120.8(7) . .
C81 C82 C86 120.1(8) . .
C82 C83 C84 121.5(7) . .
C82 C83 H83 119.3 . .
C84 C83 H83 119.3 . .
C83 C84 C79 119.6(6) . .
C83 C84 C87 119.5(6) . .
C79 C84 C87 120.9(6) . .
C80 C85 H85A 109.5 . .
C80 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C80 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C82 C86 H86A 109.5 . .
C82 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C82 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C84 C87 H87A 109.5 . .
C84 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C84 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C93 C88 C89 119.5(6) . .
C93 C88 C78 120.5(5) . .
C89 C88 C78 120.1(5) . .
C90 C89 C88 118.8(6) . .
C90 C89 C94 118.3(6) . .
C88 C89 C94 122.9(5) . .
C91 C90 C89 122.1(6) . .
C91 C90 H90 119.0 . .
C89 C90 H90 119.0 . .
C92 C91 C90 118.0(6) . .
C92 C91 C95 121.5(7) . .
C90 C91 C95 120.5(6) . .
C91 C92 C93 122.1(6) . .
C91 C92 H92 119.0 . .
C93 C92 H92 119.0 . .
C92 C93 C88 119.6(6) . .
C92 C93 C96 117.8(6) . .
C88 C93 C96 122.6(5) . .
C89 C94 H94A 109.5 . .
C89 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C89 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
C91 C95 H95A 109.5 . .
C91 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C91 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
C93 C96 H96A 109.5 . .
C93 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
C93 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
Cl5 C97 Cl6 118(4) . .
Cl5 C97 H97A 107.9 . .
Cl6 C97 H97A 107.9 . .
Cl5 C97 H97B 107.9 . .
Cl6 C97 H97B 107.9 . .
H97A C97 H97B 107.2 . .
C97 Cl5 Cl6 142(9) 3_556 3_556
C97 Cl5 C97 65(9) 3_556 .
Cl6 Cl5 C97 117(2) 3_556 .
C97 Cl5 Cl5 49(7) 3_556 3_556
Cl6 Cl5 Cl5 128(2) 3_556 3_556
C97 Cl5 Cl5 16(2) . 3_556
Cl5 Cl6 C97 13(3) 3_556 .
Cl8 C98 Cl7 118(4) . .
Cl8 C98 H98A 107.8 . .
Cl7 C98 H98A 107.8 . .
Cl8 C98 H98B 107.8 . .
Cl7 C98 H98B 107.8 . .
H98A C98 H98B 107.2 . .
C98 Cl7 Cl8 93(6) 3_656 3_656
C98 Cl7 Cl7 74(5) 3_656 3_656
Cl8 Cl7 Cl7 159(8) 3_656 3_656
C98 Cl7 C98 110(5) 3_656 .
Cl8 Cl7 C98 153(5) 3_656 .
Cl7 Cl7 C98 36(4) 3_656 .
Cl7 Cl8 C98 38(5) 3_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1 Cl1 2.2255(18) .
As1 P2 2.346(2) .
As1 P1 2.3501(18) .
As2 Cl2 2.2635(18) .
As2 P1 2.3286(18) .
As2 P2 2.3444(19) .
As3A As3B 0.84(4) .
As3A Cl3B 1.42(4) .
As3A Cl3A 2.2327(19) .
As3A P3 2.3466(18) .
As3A P4 2.3525(18) .
As3B Cl3B 2.238(11) .
As3B P3 2.40(3) .
As3B Cl4B 2.44(9) .
As3B P4 2.46(3) .
As3B Cl4A 2.47(4) .
As3B As4A 2.72(3) .
As4A As4B 0.67(4) .
As4A Cl4B 1.63(4) .
As4A Cl4A 2.2749(19) .
As4A P4 2.3389(18) .
As4A P3 2.3429(18) .
As4B P4 2.16(3) .
As4B P3 2.17(3) .
As4B Cl4B 2.279(11) .
Cl3A Cl3B 0.89(5) .
Cl4A Cl4B 0.70(5) .
P1 C1 1.838(6) .
P2 C25B 1.83(3) .
P2 C25A 1.858(13) .
P3 C49 1.830(6) .
P4 C73 1.850(6) .
C1 C6 1.415(8) .
C1 C2 1.421(8) .
C2 C3 1.393(8) .
C2 C7 1.492(9) .
C3 C4 1.382(9) .
C3 H3 0.9500 .
C4 C5 1.372(9) .
C4 H4 0.9500 .
C5 C6 1.390(8) .
C5 H5 0.9500 .
C6 C16 1.484(9) .
C7 C12 1.394(8) .
C7 C8 1.419(8) .
C8 C9 1.390(9) .
C8 C13 1.512(8) .
C9 C10 1.406(9) .
C9 H9 0.9500 .
C10 C11 1.386(9) .
C10 C14 1.506(9) .
C11 C12 1.400(9) .
C11 H11 0.9500 .
C12 C15 1.501(8) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C21 1.395(8) .
C16 C17 1.396(8) .
C17 C18 1.394(9) .
C17 C22 1.512(8) .
C18 C19 1.403(9) .
C18 H18 0.9500 .
C19 C20 1.368(9) .
C19 C23 1.509(9) .
C20 C21 1.397(9) .
C20 H20 0.9500 .
C21 C24 1.510(8) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25A C26A 1.404(9) .
C25A C30A 1.406(9) .
C26A C27A 1.395(9) .
C26A C31A 1.510(10) .
C27A C28A 1.376(10) .
C27A H27A 0.9500 .
C28A C29A 1.382(10) .
C28A H28A 0.9500 .
C29A C30A 1.392(9) .
C29A H29A 0.9500 .
C30A C40A 1.497(10) .
C31A C32A 1.398(11) .
C31A C36A 1.411(10) .
C32A C33A 1.403(10) .
C32A C37A 1.492(10) .
C33A C34A 1.395(12) .
C33A H33A 0.9500 .
C34A C35A 1.365(13) .
C34A C38A 1.519(12) .
C35A C36A 1.389(12) .
C35A H35A 0.9500 .
C36A C39A 1.495(12) .
C37A H37A 0.9800 .
C37A H37B 0.9800 .
C37A H37C 0.9800 .
C38A H38A 0.9800 .
C38A H38B 0.9800 .
C38A H38C 0.9800 .
C39A H39A 0.9800 .
C39A H39B 0.9800 .
C39A H39C 0.9800 .
C40A C45A 1.407(9) .
C40A C41A 1.421(10) .
C41A C42A 1.395(10) .
C41A C46A 1.523(10) .
C42A C43A 1.378(11) .
C42A H42A 0.9500 .
C43A C44A 1.384(12) .
C43A C47A 1.521(11) .
C44A C45A 1.409(11) .
C44A H44A 0.9500 .
C45A C48A 1.499(11) .
C46A H46A 0.9800 .
C46A H46B 0.9800 .
C46A H46C 0.9800 .
C47A H47A 0.9800 .
C47A H47B 0.9800 .
C47A H47C 0.9800 .
C48A H48A 0.9800 .
C48A H48B 0.9800 .
C48A H48C 0.9800 .
C25B C30B 1.404(11) .
C25B C26B 1.406(11) .
C26B C27B 1.396(11) .
C26B C31B 1.509(12) .
C27B C28B 1.377(12) .
C27B H27B 0.9500 .
C28B C29B 1.383(12) .
C28B H28B 0.9500 .
C29B C30B 1.392(11) .
C29B H29B 0.9500 .
C30B C40B 1.496(11) .
C31B C32B 1.397(12) .
C31B C36B 1.414(12) .
C32B C33B 1.405(12) .
C32B C37B 1.492(12) .
C33B C34B 1.394(14) .
C33B H33B 0.9500 .
C34B C35B 1.365(15) .
C34B C38B 1.517(14) .
C35B C36B 1.385(14) .
C35B H35B 0.9500 .
C36B C39B 1.498(14) .
C37B H37D 0.9800 .
C37B H37E 0.9800 .
C37B H37F 0.9800 .
C38B H38D 0.9800 .
C38B H38E 0.9800 .
C38B H38F 0.9800 .
C39B H39D 0.9800 .
C39B H39E 0.9800 .
C39B H39F 0.9800 .
C40B C45B 1.407(11) .
C40B C41B 1.423(12) .
C41B C42B 1.395(12) .
C41B C46B 1.524(12) .
C42B C43B 1.378(13) .
C42B H42B 0.9500 .
C43B C44B 1.383(14) .
C43B C47B 1.521(13) .
C44B C45B 1.411(13) .
C44B H44B 0.9500 .
C45B C48B 1.495(13) .
C46B H46D 0.9800 .
C46B H46E 0.9800 .
C46B H46F 0.9800 .
C47B H47D 0.9800 .
C47B H47E 0.9800 .
C47B H47F 0.9800 .
C48B H48D 0.9800 .
C48B H48E 0.9800 .
C48B H48F 0.9800 .
C49 C54 1.396(8) .
C49 C50 1.407(8) .
C50 C51 1.399(8) .
C50 C55 1.495(8) .
C51 C52 1.374(9) .
C51 H51 0.9500 .
C52 C53 1.378(9) .
C52 H52 0.9500 .
C53 C54 1.408(8) .
C53 H53 0.9500 .
C54 C64 1.497(9) .
C55 C60 1.398(9) .
C55 C56 1.429(8) .
C56 C57 1.377(9) .
C56 C61 1.497(8) .
C57 C58 1.401(9) .
C57 H57 0.9500 .
C58 C59 1.370(9) .
C58 C62 1.492(9) .
C59 C60 1.391(9) .
C59 H59 0.9500 .
C60 C63 1.513(8) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C65 1.405(8) .
C64 C69 1.414(8) .
C65 C66 1.394(9) .
C65 C70 1.505(9) .
C66 C67 1.386(9) .
C66 H66 0.9500 .
C67 C68 1.395(9) .
C67 C71 1.501(9) .
C68 C69 1.384(9) .
C68 H68 0.9500 .
C69 C72 1.514(8) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 C78 1.396(8) .
C73 C74 1.408(8) .
C74 C75 1.409(8) .
C74 C79 1.483(8) .
C75 C76 1.357(8) .
C75 H75 0.9500 .
C76 C77 1.392(8) .
C76 H76 0.9500 .
C77 C78 1.407(8) .
C77 H77 0.9500 .
C78 C88 1.492(8) .
C79 C80 1.390(9) .
C79 C84 1.420(8) .
C80 C81 1.394(9) .
C80 C85 1.519(9) .
C81 C82 1.381(9) .
C81 H81 0.9500 .
C82 C83 1.372(10) .
C82 C86 1.518(10) .
C83 C84 1.377(9) .
C83 H83 0.9500 .
C84 C87 1.506(8) .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 C93 1.402(8) .
C88 C89 1.411(8) .
C89 C90 1.395(8) .
C89 C94 1.504(8) .
C90 C91 1.388(9) .
C90 H90 0.9500 .
C91 C92 1.384(9) .
C91 C95 1.505(9) .
C92 C93 1.385(8) .
C92 H92 0.9500 .
C93 C96 1.518(8) .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
C97 Cl5 1.61(3) .
C97 Cl6 1.62(3) .
C97 H97A 0.9900 .
C97 H97B 0.9900 .
Cl5 C97 0.58(5) 3_556
Cl5 Cl6 1.12(2) 3_556
Cl5 Cl5 1.93(4) 3_556
Cl6 Cl5 1.12(2) 3_556
C98 Cl8 1.62(3) .
C98 Cl7 1.62(3) .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
Cl7 C98 1.00(10) 3_656
Cl7 Cl8 1.23(7) 3_656
Cl7 Cl7 1.59(8) 3_656
Cl8 Cl7 1.23(7) 3_656
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_4
P3 As3A As3B Cl3B 97(12) .
P4 As3A As3B Cl3B 176(12) .
Cl3B As3A As3B P3 -97(12) .
P4 As3A As3B P3 79.1(2) .
Cl3B As3A As3B Cl4B -151(11) .
P3 As3A As3B Cl4B -54(5) .
P4 As3A As3B Cl4B 25(5) .
Cl3B As3A As3B P4 -176(12) .
P3 As3A As3B P4 -79.1(2) .
Cl3B As3A As3B Cl4A -150(11) .
P3 As3A As3B Cl4A -53(8) .
P4 As3A As3B Cl4A 26(8) .
Cl3B As3A As3B As4A -138(11) .
P3 As3A As3B As4A -41.7(12) .
P4 As3A As3B As4A 37.4(13) .
Cl4B As4A As4B P4 -18(16) .
Cl4A As4A As4B P4 -44(10) .
P3 As4A As4B P4 -88.0(18) .
As3B As4A As4B P4 -45.0(19) .
Cl4B As4A As4B P3 70(15) .
Cl4A As4A As4B P3 44(10) .
P4 As4A As4B P3 88.0(18) .
As3B As4A As4B P3 43.0(19) .
Cl4A As4A As4B Cl4B -26(12) .
P4 As4A As4B Cl4B 18(16) .
P3 As4A As4B Cl4B -70(15) .
As3B As4A As4B Cl4B -27(14) .
As3A Cl3A Cl3B As3B 0(2) .
As3B As3A Cl3B Cl3A 179(100) .
P3 As3A Cl3B Cl3A 84(15) .
P4 As3A Cl3B Cl3A 3(16) .
Cl3A As3A Cl3B As3B -179(100) .
P3 As3A Cl3B As3B -95(12) .
P4 As3A Cl3B As3B -176(12) .
As3B Cl4A Cl4B As4A 57(21) .
As4A Cl4A Cl4B As4B -11(5) .
As3B Cl4A Cl4B As4B 47(19) .
As4A Cl4A Cl4B As3B -57(21) .
As4B As4A Cl4B Cl4A -88(27) .
P4 As4A Cl4B Cl4A -105(23) .
P3 As4A Cl4B Cl4A -23(24) .
As3B As4A Cl4B Cl4A -58(22) .
Cl4A As4A Cl4B As4B 88(27) .
P4 As4A Cl4B As4B -17(14) .
P3 As4A Cl4B As4B 64(14) .
As3B As4A Cl4B As4B 30(16) .
As4B As4A Cl4B As3B -30(16) .
Cl4A As4A Cl4B As3B 58(22) .
P4 As4A Cl4B As3B -47(2) .
P3 As4A Cl4B As3B 35(2) .
As2 P1 C1 C6 135.9(5) .
As1 P1 C1 C6 45.6(5) .
As2 P1 C1 C2 -52.9(5) .
As1 P1 C1 C2 -143.3(4) .
C6 C1 C2 C3 0.3(9) .
P1 C1 C2 C3 -171.0(5) .
C6 C1 C2 C7 -176.5(6) .
P1 C1 C2 C7 12.2(8) .
C1 C2 C3 C4 -0.6(10) .
C7 C2 C3 C4 176.4(6) .
C2 C3 C4 C5 -0.2(11) .
C3 C4 C5 C6 1.3(11) .
C4 C5 C6 C1 -1.6(10) .
C4 C5 C6 C16 177.6(6) .
C2 C1 C6 C5 0.7(9) .
P1 C1 C6 C5 171.8(5) .
C2 C1 C6 C16 -178.4(6) .
P1 C1 C6 C16 -7.3(9) .
C3 C2 C7 C12 108.1(7) .
C1 C2 C7 C12 -75.1(8) .
C3 C2 C7 C8 -70.4(8) .
C1 C2 C7 C8 106.4(7) .
C12 C7 C8 C9 2.4(9) .
C2 C7 C8 C9 -179.1(6) .
C12 C7 C8 C13 -177.7(6) .
C2 C7 C8 C13 0.9(9) .
C7 C8 C9 C10 -1.7(10) .
C13 C8 C9 C10 178.4(6) .
C8 C9 C10 C11 0.2(10) .
C8 C9 C10 C14 -178.9(6) .
C9 C10 C11 C12 0.7(10) .
C14 C10 C11 C12 179.7(6) .
C8 C7 C12 C11 -1.6(9) .
C2 C7 C12 C11 179.9(6) .
C8 C7 C12 C15 175.7(6) .
C2 C7 C12 C15 -2.8(9) .
C10 C11 C12 C7 0.1(10) .
C10 C11 C12 C15 -177.4(6) .
C5 C6 C16 C21 -92.4(8) .
C1 C6 C16 C21 86.7(8) .
C5 C6 C16 C17 80.2(8) .
C1 C6 C16 C17 -100.6(8) .
C21 C16 C17 C18 1.5(9) .
C6 C16 C17 C18 -171.2(6) .
C21 C16 C17 C22 -179.6(6) .
C6 C16 C17 C22 7.7(9) .
C16 C17 C18 C19 -0.1(10) .
C22 C17 C18 C19 -179.1(6) .
C17 C18 C19 C20 -0.3(10) .
C17 C18 C19 C23 178.0(6) .
C18 C19 C20 C21 -0.6(10) .
C23 C19 C20 C21 -178.9(6) .
C17 C16 C21 C20 -2.4(9) .
C6 C16 C21 C20 170.2(6) .
C17 C16 C21 C24 176.1(6) .
C6 C16 C21 C24 -11.3(9) .
C19 C20 C21 C16 2.0(10) .
C19 C20 C21 C24 -176.5(6) .
C25B P2 C25A C26A 170(25) .
As2 P2 C25A C26A -121.7(19) .
As1 P2 C25A C26A -33(2) .
C25B P2 C25A C30A -5(22) .
As2 P2 C25A C30A 63.2(18) .
As1 P2 C25A C30A 151.6(15) .
C30A C25A C26A C27A -4(3) .
P2 C25A C26A C27A -178.5(16) .
C30A C25A C26A C31A 176.0(15) .
P2 C25A C26A C31A 1(3) .
C25A C26A C27A C28A 2(3) .
C31A C26A C27A C28A -177.3(15) .
C26A C27A C28A C29A 1(3) .
C27A C28A C29A C30A -3(3) .
C28A C29A C30A C25A 1(3) .
C28A C29A C30A C40A 174.1(16) .
C26A C25A C30A C29A 2(3) .
P2 C25A C30A C29A 177.2(16) .
C26A C25A C30A C40A -170.5(15) .
P2 C25A C30A C40A 5(2) .
C27A C26A C31A C32A -68.6(16) .
C25A C26A C31A C32A 111.8(19) .
C27A C26A C31A C36A 106.2(16) .
C25A C26A C31A C36A -73(2) .
C36A C31A C32A C33A 0(2) .
C26A C31A C32A C33A 174.3(11) .
C36A C31A C32A C37A -177.2(15) .
C26A C31A C32A C37A -2.6(19) .
C31A C32A C33A C34A 0(2) .
C37A C32A C33A C34A 176.6(13) .
C32A C33A C34A C35A 0.8(18) .
C32A C33A C34A C38A -177.9(13) .
C33A C34A C35A C36A -0.4(17) .
C38A C34A C35A C36A 178.2(13) .
C34A C35A C36A C31A -0.3(18) .
C34A C35A C36A C39A 177.2(11) .
C32A C31A C36A C35A 0.7(19) .
C26A C31A C36A C35A -174.0(10) .
C32A C31A C36A C39A -176.8(13) .
C26A C31A C36A C39A 8.5(17) .
C29A C30A C40A C45A -101.4(19) .
C25A C30A C40A C45A 71(2) .
C29A C30A C40A C41A 76(2) .
C25A C30A C40A C41A -112(2) .
C45A C40A C41A C42A 0(3) .
C30A C40A C41A C42A -177.2(16) .
C45A C40A C41A C46A 179(3) .
C30A C40A C41A C46A 2(3) .
C40A C41A C42A C43A 0(3) .
C46A C41A C42A C43A -179(3) .
C41A C42A C43A C44A 1(2) .
C41A C42A C43A C47A 178.0(18) .
C42A C43A C44A C45A -2(2) .
C47A C43A C44A C45A -178.7(14) .
C41A C40A C45A C44A 0(2) .
C30A C40A C45A C44A 176.5(11) .
C41A C40A C45A C48A -176.5(18) .
C30A C40A C45A C48A 0(2) .
C43A C44A C45A C40A 2(2) .
C43A C44A C45A C48A 177.6(14) .
C25A P2 C25B C30B 172(28) .
As2 P2 C25B C30B 59(5) .
As1 P2 C25B C30B 148(4) .
C25A P2 C25B C26B -11(19) .
As2 P2 C25B C26B -125(4) .
As1 P2 C25B C26B -36(5) .
C30B C25B C26B C27B 1(7) .
P2 C25B C26B C27B -175(4) .
C30B C25B C26B C31B 169(4) .
P2 C25B C26B C31B -7(7) .
C25B C26B C27B C28B -6(7) .
C31B C26B C27B C28B -175(4) .
C26B C27B C28B C29B 3(7) .
C27B C28B C29B C30B 6(8) .
C28B C29B C30B C25B -11(7) .
C28B C29B C30B C40B 171(4) .
C26B C25B C30B C29B 7(8) .
P2 C25B C30B C29B -177(4) .
C26B C25B C30B C40B -174(4) .
P2 C25B C30B C40B 2(7) .
C27B C26B C31B C32B -81(4) .
C25B C26B C31B C32B 112(5) .
C27B C26B C31B C36B 102(4) .
C25B C26B C31B C36B -66(5) .
C36B C31B C32B C33B -9(6) .
C26B C31B C32B C33B 174(3) .
C36B C31B C32B C37B 173(4) .
C26B C31B C32B C37B -5(5) .
C31B C32B C33B C34B 7(6) .
C37B C32B C33B C34B -175(4) .
C32B C33B C34B C35B -4(5) .
C32B C33B C34B C38B 175(4) .
C33B C34B C35B C36B 3(5) .
C38B C34B C35B C36B -176(3) .
C34B C35B C36B C31B -5(5) .
C34B C35B C36B C39B 179(4) .
C32B C31B C36B C35B 8(5) .
C26B C31B C36B C35B -175(3) .
C32B C31B C36B C39B -176(4) .
C26B C31B C36B C39B 2(5) .
C29B C30B C40B C45B -107(5) .
C25B C30B C40B C45B 74(5) .
C29B C30B C40B C41B 68(5) .
C25B C30B C40B C41B -111(5) .
C45B C40B C41B C42B 0(8) .
C30B C40B C41B C42B -175(4) .
C45B C40B C41B C46B -178(7) .
C30B C40B C41B C46B 8(9) .
C40B C41B C42B C43B 3(8) .
C46B C41B C42B C43B -180(7) .
C41B C42B C43B C44B -4(7) .
C41B C42B C43B C47B 177(5) .
C42B C43B C44B C45B 3(6) .
C47B C43B C44B C45B -178(4) .
C41B C40B C45B C44B -1(6) .
C30B C40B C45B C44B 173(3) .
C41B C40B C45B C48B -178(5) .
C30B C40B C45B C48B -3(5) .
C43B C44B C45B C40B 0(6) .
C43B C44B C45B C48B 177(4) .
As4B P3 C49 C54 -131.3(12) .
As4A P3 C49 C54 -119.4(5) .
As3A P3 C49 C54 -31.0(6) .
As3B P3 C49 C54 -48.0(10) .
As4B P3 C49 C50 53.3(12) .
As4A P3 C49 C50 65.2(5) .
As3A P3 C49 C50 153.6(4) .
As3B P3 C49 C50 136.6(9) .
C54 C49 C50 C51 6.6(9) .
P3 C49 C50 C51 -177.7(4) .
C54 C49 C50 C55 -171.5(6) .
P3 C49 C50 C55 4.2(8) .
C49 C50 C51 C52 -3.0(9) .
C55 C50 C51 C52 175.2(6) .
C50 C51 C52 C53 -1.0(10) .
C51 C52 C53 C54 1.5(10) .
C50 C49 C54 C53 -6.1(9) .
P3 C49 C54 C53 178.6(4) .
C50 C49 C54 C64 171.2(6) .
P3 C49 C54 C64 -4.1(9) .
C52 C53 C54 C49 2.1(9) .
C52 C53 C54 C64 -175.4(6) .
C51 C50 C55 C60 74.6(8) .
C49 C50 C55 C60 -107.3(7) .
C51 C50 C55 C56 -101.9(7) .
C49 C50 C55 C56 76.2(8) .
C60 C55 C56 C57 0.4(9) .
C50 C55 C56 C57 177.0(6) .
C60 C55 C56 C61 -178.4(6) .
C50 C55 C56 C61 -1.9(9) .
C55 C56 C57 C58 0.9(10) .
C61 C56 C57 C58 179.7(6) .
C56 C57 C58 C59 -0.7(10) .
C56 C57 C58 C62 -177.2(6) .
C57 C58 C59 C60 -0.9(10) .
C62 C58 C59 C60 175.6(6) .
C58 C59 C60 C55 2.1(10) .
C58 C59 C60 C63 -176.7(6) .
C56 C55 C60 C59 -1.8(9) .
C50 C55 C60 C59 -178.3(6) .
C56 C55 C60 C63 176.9(6) .
C50 C55 C60 C63 0.4(9) .
C49 C54 C64 C65 113.1(7) .
C53 C54 C64 C65 -69.5(8) .
C49 C54 C64 C69 -72.5(8) .
C53 C54 C64 C69 105.0(7) .
C69 C64 C65 C66 0.8(9) .
C54 C64 C65 C66 175.3(6) .
C69 C64 C65 C70 179.6(6) .
C54 C64 C65 C70 -6.0(10) .
C64 C65 C66 C67 -2.4(10) .
C70 C65 C66 C67 178.9(6) .
C65 C66 C67 C68 3.3(10) .
C65 C66 C67 C71 -176.8(7) .
C66 C67 C68 C69 -2.8(11) .
C71 C67 C68 C69 177.3(7) .
C67 C68 C69 C64 1.4(11) .
C67 C68 C69 C72 -178.0(6) .
C65 C64 C69 C68 -0.4(10) .
C54 C64 C69 C68 -174.9(6) .
C65 C64 C69 C72 179.0(6) .
C54 C64 C69 C72 4.5(9) .
As4B P4 C73 C78 -42.9(12) .
As4A P4 C73 C78 -55.1(5) .
As3A P4 C73 C78 -143.9(4) .
As3B P4 C73 C78 -126.1(9) .
As4B P4 C73 C74 144.8(12) .
As4A P4 C73 C74 132.6(5) .
As3A P4 C73 C74 43.8(5) .
As3B P4 C73 C74 61.7(9) .
C78 C73 C74 C75 2.6(9) .
P4 C73 C74 C75 174.7(4) .
C78 C73 C74 C79 -173.4(6) .
P4 C73 C74 C79 -1.3(8) .
C73 C74 C75 C76 0.5(9) .
C79 C74 C75 C76 176.8(6) .
C74 C75 C76 C77 -2.7(9) .
C75 C76 C77 C78 1.9(9) .
C74 C73 C78 C77 -3.4(9) .
P4 C73 C78 C77 -175.7(4) .
C74 C73 C78 C88 174.3(6) .
P4 C73 C78 C88 2.1(8) .
C76 C77 C78 C73 1.1(9) .
C76 C77 C78 C88 -176.8(6) .
C73 C74 C79 C80 -103.6(7) .
C75 C74 C79 C80 80.4(7) .
C73 C74 C79 C84 80.0(8) .
C75 C74 C79 C84 -96.1(7) .
C84 C79 C80 C81 -0.7(9) .
C74 C79 C80 C81 -177.1(6) .
C84 C79 C80 C85 178.6(6) .
C74 C79 C80 C85 2.1(9) .
C79 C80 C81 C82 -0.3(10) .
C85 C80 C81 C82 -179.5(6) .
C80 C81 C82 C83 1.9(10) .
C80 C81 C82 C86 -178.7(6) .
C81 C82 C83 C84 -2.4(10) .
C86 C82 C83 C84 178.1(6) .
C82 C83 C84 C79 1.5(10) .
C82 C83 C84 C87 -179.5(6) .
C80 C79 C84 C83 0.1(9) .
C74 C79 C84 C83 176.7(6) .
C80 C79 C84 C87 -178.9(6) .
C74 C79 C84 C87 -2.4(9) .
C73 C78 C88 C93 109.8(7) .
C77 C78 C88 C93 -72.5(7) .
C73 C78 C88 C89 -71.5(8) .
C77 C78 C88 C89 106.3(7) .
C93 C88 C89 C90 -0.4(9) .
C78 C88 C89 C90 -179.2(6) .
C93 C88 C89 C94 177.4(6) .
C78 C88 C89 C94 -1.4(9) .
C88 C89 C90 C91 -1.0(10) .
C94 C89 C90 C91 -178.9(6) .
C89 C90 C91 C92 1.9(10) .
C89 C90 C91 C95 -179.7(7) .
C90 C91 C92 C93 -1.5(10) .
C95 C91 C92 C93 -179.8(7) .
C91 C92 C93 C88 0.1(10) .
C91 C92 C93 C96 178.4(6) .
C89 C88 C93 C92 0.9(9) .
C78 C88 C93 C92 179.6(6) .
C89 C88 C93 C96 -177.4(6) .
C78 C88 C93 C96 1.4(9) .
Cl6 C97 Cl5 C97 28(7) 3_556
Cl6 C97 Cl5 Cl6 166(4) 3_556
Cl6 C97 Cl5 Cl5 28(7) 3_556
Cl5 C97 Cl6 Cl5 -90(14) 3_556
Cl8 C98 Cl7 C98 -14(6) 3_656
Cl8 C98 Cl7 Cl8 -157(10) 3_656
Cl8 C98 Cl7 Cl7 -14(6) 3_656
Cl7 C98 Cl8 Cl7 17(8) 3_656
