#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:33:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179506 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/03/4340382.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_4340382
loop_
_publ_author_name
'Burford, Neil'
'Ragogna, Paul J.'
'Sharp, Kendall'
'McDonald, Robert'
'Ferguson, Michael J.'
_publ_section_title
;
 Arsinophosphonium cations from arsenium-phosphine and -bisphosphine
 coordination chemistry.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9453
_journal_page_last               9460
_journal_paper_doi               10.1021/ic050989w
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C54 H42 As2 N2 P2, 2(Cl4 Ga), C H2 Cl2'
_chemical_formula_sum            'C55 H44 As2 Cl10 Ga2 N2 P2'
_chemical_formula_weight         1438.64
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.109(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.973(2)
_cell_length_b                   21.727(3)
_cell_length_c                   21.088(3)
_cell_measurement_reflns_used    5847
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.17
_cell_volume                     5898.3(15)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-96 (Beurskens et al., 1996)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_diffrn_measurement_method       'ω scans'
_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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            43165
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.35
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.573
_exptl_absorpt_correction_T_max  0.7829
_exptl_absorpt_correction_T_min  0.2660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2864
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.841
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         12029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0350
_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)+(0.0408P)²+5.3629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                9362
_reflns_number_total             12029
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic050989wsi20050616_040139.cif
_cod_data_source_block           dal04b1_[AN-dppb-AN]12[GaCl4]2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        5898.2(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4340382
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
As1A As 0.19539(3) 0.337748(14) 0.070700(15) 0.03728(9) Uani 1 1 d .
P1A P 0.22107(5) 0.44548(3) 0.05514(3) 0.02560(15) Uani 1 1 d .
N1A N -0.0490(2) 0.33718(13) 0.01415(13) 0.0461(7) Uani 1 1 d .
H1NA H -0.1151 0.3387 -0.0015 0.055 Uiso 1 1 calc R
C11A C 0.0726(3) 0.34630(14) 0.11278(15) 0.0395(7) Uani 1 1 d .
C12A C -0.0281(3) 0.34390(14) 0.08002(15) 0.0407(8) Uani 1 1 d .
C13A C -0.1133(3) 0.34782(18) 0.11506(18) 0.0554(10) Uani 1 1 d .
H13A H -0.1820 0.3471 0.0935 0.067 Uiso 1 1 calc R
C14A C -0.0969(4) 0.3528(2) 0.1809(2) 0.0651(11) Uani 1 1 d .
H14A H -0.1548 0.3551 0.2042 0.078 Uiso 1 1 calc R
C15A C 0.0027(4) 0.35429(19) 0.21327(19) 0.0645(12) Uani 1 1 d .
H15A H 0.0131 0.3577 0.2585 0.077 Uiso 1 1 calc R
C16A C 0.0862(3) 0.35084(16) 0.17932(16) 0.0506(9) Uani 1 1 d .
H16A H 0.1545 0.3516 0.2015 0.061 Uiso 1 1 calc R
C21A C 0.1270(3) 0.32709(13) -0.01522(14) 0.0376(7) Uani 1 1 d .
C22A C 0.0192(3) 0.32856(13) -0.03005(15) 0.0393(8) Uani 1 1 d .
C23A C -0.0236(3) 0.32019(15) -0.09455(16) 0.0468(9) Uani 1 1 d .
H23A H -0.0968 0.3199 -0.1056 0.056 Uiso 1 1 calc R
C24A C 0.0399(3) 0.31247(15) -0.14115(16) 0.0512(10) Uani 1 1 d .
H24A H 0.0099 0.3075 -0.1843 0.061 Uiso 1 1 calc R
C25A C 0.1478(3) 0.31179(16) -0.12670(17) 0.0517(9) Uani 1 1 d .
H25A H 0.1912 0.3073 -0.1595 0.062 Uiso 1 1 calc R
C26A C 0.1897(3) 0.31775(14) -0.06396(16) 0.0449(8) Uani 1 1 d .
H26A H 0.2629 0.3155 -0.0533 0.054 Uiso 1 1 calc R
C31A C 0.2739(2) 0.48376(13) 0.12772(13) 0.0266(6) Uani 1 1 d .
C32A C 0.2649(2) 0.54681(13) 0.13456(14) 0.0336(7) Uani 1 1 d .
H32A H 0.2227 0.5698 0.1029 0.040 Uiso 1 1 calc R
C33A C 0.3167(2) 0.57664(15) 0.18693(15) 0.0388(7) Uani 1 1 d .
H33A H 0.3092 0.6198 0.1916 0.047 Uiso 1 1 calc R
C34A C 0.3790(3) 0.54369(15) 0.23236(15) 0.0417(8) Uani 1 1 d .
H34A H 0.4152 0.5644 0.2681 0.050 Uiso 1 1 calc R
C35A C 0.3895(3) 0.48108(16) 0.22644(16) 0.0450(8) Uani 1 1 d .
H35A H 0.4328 0.4587 0.2580 0.054 Uiso 1 1 calc R
C36A C 0.3365(2) 0.45032(14) 0.17421(15) 0.0367(7) Uani 1 1 d .
H36A H 0.3429 0.4070 0.1703 0.044 Uiso 1 1 calc R
C41A C 0.3128(2) 0.45343(14) -0.00161(14) 0.0332(7) Uani 1 1 d .
C42A C 0.3081(3) 0.50163(17) -0.04503(17) 0.0468(8) Uani 1 1 d .
H42A H 0.2552 0.5319 -0.0457 0.056 Uiso 1 1 calc R
C43A C 0.3813(3) 0.5052(2) -0.0874(2) 0.0696(13) Uani 1 1 d .
H43A H 0.3777 0.5377 -0.1177 0.083 Uiso 1 1 calc R
C44A C 0.4587(3) 0.4624(3) -0.0860(2) 0.0802(16) Uani 1 1 d .
H44A H 0.5085 0.4652 -0.1153 0.096 Uiso 1 1 calc R
C45A C 0.4649(3) 0.4155(3) -0.0427(3) 0.0765(15) Uani 1 1 d .
H45A H 0.5190 0.3860 -0.0420 0.092 Uiso 1 1 calc R
C46A C 0.3925(2) 0.41070(18) 0.00046(19) 0.0516(9) Uani 1 1 d .
H46A H 0.3976 0.3784 0.0311 0.062 Uiso 1 1 calc R
C51A C 0.0994(2) 0.47966(12) 0.02372(13) 0.0245(6) Uani 1 1 d .
C52A C 0.0330(2) 0.50350(13) 0.06512(13) 0.0272(6) Uani 1 1 d .
H52A H 0.0556 0.5054 0.1097 0.033 Uiso 1 1 calc R
C53A C -0.0652(2) 0.52429(13) 0.04171(13) 0.0279(6) Uani 1 1 d .
H53A H -0.1093 0.5412 0.0700 0.033 Uiso 1 1 calc R
As1B As 0.19217(2) 0.173308(13) 0.021706(15) 0.03136(8) Uani 1 1 d .
P1B P 0.21995(5) 0.06498(3) 0.03406(3) 0.02412(15) Uani 1 1 d .
N1B N -0.0557(2) 0.16099(12) -0.02191(13) 0.0422(7) Uani 1 1 d .
H1NB H -0.1225 0.1551 -0.0335 0.051 Uiso 1 1 calc R
C11B C 0.1142(3) 0.16313(13) -0.06156(14) 0.0349(7) Uani 1 1 d .
C12B C 0.0058(3) 0.15926(13) -0.07070(15) 0.0386(7) Uani 1 1 d .
C13B C -0.0448(3) 0.15349(15) -0.13397(17) 0.0480(9) Uani 1 1 d .
H13B H -0.1184 0.1510 -0.1414 0.058 Uiso 1 1 calc R
C14B C 0.0120(4) 0.15159(16) -0.18418(17) 0.0556(10) Uani 1 1 d .
H14B H -0.0230 0.1476 -0.2263 0.067 Uiso 1 1 calc R
C15B C 0.1193(4) 0.15527(17) -0.17549(17) 0.0564(10) Uani 1 1 d .
H15B H 0.1577 0.1534 -0.2110 0.068 Uiso 1 1 calc R
C16B C 0.1693(3) 0.16168(15) -0.11419(16) 0.0463(8) Uani 1 1 d .
H16B H 0.2429 0.1652 -0.1077 0.056 Uiso 1 1 calc R
C21B C 0.0764(2) 0.17617(12) 0.07056(14) 0.0314(6) Uani 1 1 d .
C22B C -0.0274(2) 0.17070(13) 0.04274(15) 0.0358(7) Uani 1 1 d .
C23B C -0.1064(3) 0.17613(16) 0.08220(18) 0.0471(8) Uani 1 1 d .
H23B H -0.1770 0.1732 0.0641 0.056 Uiso 1 1 calc R
C24B C -0.0828(3) 0.18565(17) 0.14696(19) 0.0533(9) Uani 1 1 d .
H24B H -0.1374 0.1884 0.1730 0.064 Uiso 1 1 calc R
C25B C 0.0194(3) 0.19128(16) 0.17484(17) 0.0470(8) Uani 1 1 d .
H25B H 0.0350 0.1980 0.2195 0.056 Uiso 1 1 calc R
C26B C 0.0977(3) 0.18692(14) 0.13644(15) 0.0380(7) Uani 1 1 d .
H26B H 0.1678 0.1913 0.1551 0.046 Uiso 1 1 calc R
C31B C 0.3070(2) 0.03730(13) -0.01951(13) 0.0283(6) Uani 1 1 d .
C32B C 0.3041(2) -0.02435(14) -0.03801(14) 0.0356(7) Uani 1 1 d .
H32B H 0.2541 -0.0514 -0.0239 0.043 Uiso 1 1 calc R
C33B C 0.3741(3) -0.04597(17) -0.07689(17) 0.0478(9) Uani 1 1 d .
H33B H 0.3727 -0.0880 -0.0892 0.057 Uiso 1 1 calc R
C34B C 0.4458(3) -0.0069(2) -0.09775(17) 0.0537(10) Uani 1 1 d .
H34B H 0.4929 -0.0219 -0.1252 0.064 Uiso 1 1 calc R
C35B C 0.4501(3) 0.0537(2) -0.07945(18) 0.0543(10) Uani 1 1 d .
H35B H 0.5004 0.0802 -0.0940 0.065 Uiso 1 1 calc R
C36B C 0.3812(2) 0.07627(16) -0.03976(16) 0.0414(8) Uani 1 1 d .
H36B H 0.3848 0.1181 -0.0265 0.050 Uiso 1 1 calc R
C41B C 0.2749(2) 0.04535(13) 0.11436(13) 0.0284(6) Uani 1 1 d .
C42B C 0.2723(2) -0.01567(15) 0.13443(15) 0.0362(7) Uani 1 1 d .
H42B H 0.2343 -0.0455 0.1082 0.043 Uiso 1 1 calc R
C43B C 0.3253(3) -0.03249(18) 0.19266(16) 0.0460(8) Uani 1 1 d .
H43B H 0.3244 -0.0741 0.2065 0.055 Uiso 1 1 calc R
C44B C 0.3797(3) 0.0113(2) 0.23085(15) 0.0505(10) Uani 1 1 d .
H44B H 0.4162 -0.0005 0.2708 0.061 Uiso 1 1 calc R
C45B C 0.3815(3) 0.07173(19) 0.21159(15) 0.0481(9) Uani 1 1 d .
H45B H 0.4186 0.1015 0.2384 0.058 Uiso 1 1 calc R
C46B C 0.3293(2) 0.08909(15) 0.15302(14) 0.0369(7) Uani 1 1 d .
H46B H 0.3308 0.1307 0.1394 0.044 Uiso 1 1 calc R
C51B C 0.0982(2) 0.02566(12) 0.01566(12) 0.0241(5) Uani 1 1 d .
C52B C 0.0622(2) 0.01169(12) -0.04806(13) 0.0267(6) Uani 1 1 d .
H52B H 0.1044 0.0202 -0.0808 0.032 Uiso 1 1 calc R
C53B C -0.0349(2) -0.01444(12) -0.06325(13) 0.0260(6) Uani 1 1 d .
H53B H -0.0587 -0.0248 -0.1064 0.031 Uiso 1 1 calc R
Ga1 Ga 0.13675(3) 0.254694(15) 0.393677(17) 0.03583(9) Uani 1 1 d .
Cl1 Cl 0.19546(7) 0.18302(4) 0.46107(4) 0.0488(2) Uani 1 1 d .
Cl2 Cl 0.17627(7) 0.34285(4) 0.43948(5) 0.0537(2) Uani 1 1 d .
Cl3 Cl -0.02773(7) 0.24614(6) 0.36539(5) 0.0680(3) Uani 1 1 d .
Cl4 Cl 0.22076(8) 0.24954(4) 0.31088(4) 0.0545(2) Uani 1 1 d .
Ga2 Ga 0.02078(3) 0.247608(16) 0.640928(16) 0.03806(9) Uani 1 1 d .
Cl5 Cl -0.11638(7) 0.24921(4) 0.69073(4) 0.0507(2) Uani 1 1 d .
Cl6 Cl -0.02257(9) 0.27336(6) 0.54250(5) 0.0780(4) Uani 1 1 d .
Cl7 Cl 0.13345(10) 0.31051(6) 0.68894(6) 0.0835(4) Uani 1 1 d .
Cl8 Cl 0.08241(11) 0.15500(5) 0.64562(6) 0.0802(4) Uani 1 1 d .
Cl1S Cl 0.65568(14) 0.01594(13) 0.28700(9) 0.1509(9) Uani 1 1 d .
Cl2S Cl 0.83172(16) 0.00258(15) 0.22079(10) 0.1730(11) Uani 1 1 d .
C1S C 0.7567(6) 0.0526(3) 0.2561(3) 0.135(3) Uani 1 1 d .
H1SA H 0.7280 0.0836 0.2243 0.162 Uiso 1 1 calc R
H1SB H 0.8002 0.0744 0.2909 0.162 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Ga Ga 0.2307 1.6083 '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
C11A As1A C21A 97.70(14) . .
C11A As1A P1A 96.08(9) . .
C21A As1A P1A 92.54(9) . .
C51A P1A C41A 109.82(13) . .
C51A P1A C31A 110.30(13) . .
C41A P1A C31A 107.93(13) . .
C51A P1A As1A 108.92(9) . .
C41A P1A As1A 107.48(10) . .
C31A P1A As1A 112.33(10) . .
C22A N1A C12A 129.1(3) . .
C16A C11A C12A 119.5(3) . .
C16A C11A As1A 117.5(3) . .
C12A C11A As1A 122.9(2) . .
N1A C12A C11A 123.4(3) . .
N1A C12A C13A 117.6(3) . .
C11A C12A C13A 118.9(3) . .
C14A C13A C12A 120.0(4) . .
C13A C14A C15A 121.0(4) . .
C16A C15A C14A 119.3(4) . .
C15A C16A C11A 121.3(4) . .
C22A C21A C26A 119.7(3) . .
C22A C21A As1A 122.6(2) . .
C26A C21A As1A 117.7(3) . .
N1A C22A C21A 124.2(3) . .
N1A C22A C23A 117.5(3) . .
C21A C22A C23A 118.3(3) . .
C24A C23A C22A 120.5(4) . .
C23A C24A C25A 121.4(3) . .
C26A C25A C24A 118.5(4) . .
C25A C26A C21A 121.6(4) . .
C32A C31A C36A 119.4(3) . .
C32A C31A P1A 121.2(2) . .
C36A C31A P1A 118.9(2) . .
C33A C32A C31A 120.6(3) . .
C34A C33A C32A 119.9(3) . .
C35A C34A C33A 120.5(3) . .
C34A C35A C36A 120.1(3) . .
C35A C36A C31A 119.5(3) . .
C46A C41A C42A 119.9(3) . .
C46A C41A P1A 117.9(3) . .
C42A C41A P1A 122.2(2) . .
C43A C42A C41A 119.4(4) . .
C44A C43A C42A 120.6(4) . .
C45A C44A C43A 120.4(4) . .
C44A C45A C46A 120.4(4) . .
C41A C46A C45A 119.4(4) . .
C53A C51A C52A 119.6(2) 3_565 .
C53A C51A P1A 119.7(2) 3_565 .
C52A C51A P1A 120.2(2) . .
C53A C52A C51A 120.6(3) . .
C52A C53A C51A 119.8(2) . 3_565
C21B As1B C11B 97.78(13) . .
C21B As1B P1B 95.19(8) . .
C11B As1B P1B 92.37(9) . .
C51B P1B C31B 108.03(13) . .
C51B P1B C41B 108.99(13) . .
C31B P1B C41B 107.73(13) . .
C51B P1B As1B 109.16(9) . .
C31B P1B As1B 111.04(10) . .
C41B P1B As1B 111.81(10) . .
C12B N1B C22B 129.2(3) . .
C16B C11B C12B 119.7(3) . .
C16B C11B As1B 117.8(3) . .
C12B C11B As1B 122.5(2) . .
N1B C12B C11B 124.1(3) . .
N1B C12B C13B 117.5(3) . .
C11B C12B C13B 118.4(3) . .
C14B C13B C12B 120.1(4) . .
C13B C14B C15B 121.8(3) . .
C16B C15B C14B 118.6(4) . .
C15B C16B C11B 121.4(4) . .
C26B C21B C22B 119.2(3) . .
C26B C21B As1B 117.7(2) . .
C22B C21B As1B 123.0(2) . .
N1B C22B C23B 118.2(3) . .
N1B C22B C21B 123.2(3) . .
C23B C22B C21B 118.5(3) . .
C24B C23B C22B 120.8(3) . .
C23B C24B C25B 121.1(3) . .
C26B C25B C24B 118.7(3) . .
C25B C26B C21B 121.6(3) . .
C36B C31B C32B 119.7(3) . .
C36B C31B P1B 120.2(2) . .
C32B C31B P1B 120.0(2) . .
C33B C32B C31B 119.8(3) . .
C34B C33B C32B 120.1(3) . .
C35B C34B C33B 120.7(3) . .
C34B C35B C36B 120.2(3) . .
C35B C36B C31B 119.5(3) . .
C46B C41B C42B 120.2(3) . .
C46B C41B P1B 120.2(2) . .
C42B C41B P1B 119.2(2) . .
C43B C42B C41B 119.6(3) . .
C42B C43B C44B 119.9(3) . .
C45B C44B C43B 120.7(3) . .
C44B C45B C46B 119.9(3) . .
C45B C46B C41B 119.6(3) . .
C53B C51B C52B 119.8(2) 3 .
C53B C51B P1B 120.5(2) 3 .
C52B C51B P1B 119.4(2) . .
C53B C52B C51B 119.8(2) . .
C52B C53B C51B 120.4(2) . 3
Cl3 Ga1 Cl4 110.59(4) . .
Cl3 Ga1 Cl2 111.71(4) . .
Cl4 Ga1 Cl2 106.73(4) . .
Cl3 Ga1 Cl1 111.93(4) . .
Cl4 Ga1 Cl1 108.51(4) . .
Cl2 Ga1 Cl1 107.15(4) . .
Cl6 Ga2 Cl7 111.59(6) . .
Cl6 Ga2 Cl8 109.65(5) . .
Cl7 Ga2 Cl8 110.03(6) . .
Cl6 Ga2 Cl5 109.22(4) . .
Cl7 Ga2 Cl5 108.06(5) . .
Cl8 Ga2 Cl5 108.22(5) . .
Cl2S C1S Cl1S 112.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1A C11A 1.926(4) .
As1A C21A 1.930(3) .
As1A P1A 2.3925(8) .
P1A C51A 1.796(3) .
P1A C41A 1.798(3) .
P1A C31A 1.801(3) .
N1A C22A 1.375(4) .
N1A C12A 1.390(4) .
C11A C16A 1.396(4) .
C11A C12A 1.402(5) .
C12A C13A 1.405(5) .
C13A C14A 1.381(5) .
C14A C15A 1.385(6) .
C15A C16A 1.372(6) .
C21A C22A 1.396(5) .
C21A C26A 1.402(5) .
C22A C23A 1.416(4) .
C23A C24A 1.368(5) .
C24A C25A 1.395(6) .
C25A C26A 1.373(5) .
C31A C32A 1.384(4) .
C31A C36A 1.397(4) .
C32A C33A 1.381(4) .
C33A C34A 1.376(5) .
C34A C35A 1.374(5) .
C35A C36A 1.395(4) .
C41A C46A 1.386(4) .
C41A C42A 1.387(5) .
C42A C43A 1.384(5) .
C43A C44A 1.367(7) .
C44A C45A 1.362(7) .
C45A C46A 1.391(6) .
C51A C53A 1.399(4) 3_565
C51A C52A 1.399(4) .
C52A C53A 1.384(4) .
C53A C51A 1.399(4) 3_565
As1B C21B 1.925(3) .
As1B C11B 1.927(3) .
As1B P1B 2.3905(8) .
P1B C51B 1.795(3) .
P1B C31B 1.797(3) .
P1B C41B 1.805(3) .
N1B C12B 1.378(4) .
N1B C22B 1.383(4) .
C11B C16B 1.393(5) .
C11B C12B 1.399(5) .
C12B C13B 1.418(5) .
C13B C14B 1.364(5) .
C14B C15B 1.383(6) .
C15B C16B 1.380(5) .
C21B C26B 1.402(4) .
C21B C22B 1.406(4) .
C22B C23B 1.402(5) .
C23B C24B 1.378(5) .
C24B C25B 1.387(5) .
C25B C26B 1.378(5) .
C31B C36B 1.388(4) .
C31B C32B 1.394(4) .
C32B C33B 1.379(4) .
C33B C34B 1.371(5) .
C34B C35B 1.370(5) .
C35B C36B 1.388(5) .
C41B C46B 1.387(4) .
C41B C42B 1.394(4) .
C42B C43B 1.380(4) .
C43B C44B 1.382(5) .
C44B C45B 1.376(5) .
C45B C46B 1.385(4) .
C51B C53B 1.394(4) 3
C51B C52B 1.400(4) .
C52B C53B 1.383(4) .
C53B C51B 1.394(4) 3
Ga1 Cl3 2.1513(10) .
Ga1 Cl4 2.1726(10) .
Ga1 Cl2 2.1775(9) .
Ga1 Cl1 2.1810(9) .
Ga2 Cl6 2.1560(10) .
Ga2 Cl7 2.1593(12) .
Ga2 Cl8 2.1629(11) .
Ga2 Cl5 2.1755(10) .
Cl1S C1S 1.729(8) .
Cl2S C1S 1.691(7) .
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_4
C11A As1A P1A C51A -46.81(13) . .
C21A As1A P1A C51A 51.22(14) . .
C11A As1A P1A C41A -165.73(14) . .
C21A As1A P1A C41A -67.71(15) . .
C11A As1A P1A C31A 75.69(14) . .
C21A As1A P1A C31A 173.72(14) . .
C21A As1A C11A C16A 175.5(3) . .
P1A As1A C11A C16A -91.1(2) . .
C21A As1A C11A C12A -0.1(3) . .
P1A As1A C11A C12A 93.3(3) . .
C22A N1A C12A C11A 3.8(5) . .
C22A N1A C12A C13A -175.6(3) . .
C16A C11A C12A N1A -177.6(3) . .
As1A C11A C12A N1A -2.2(4) . .
C16A C11A C12A C13A 1.7(5) . .
As1A C11A C12A C13A 177.2(2) . .
N1A C12A C13A C14A 178.2(3) . .
C11A C12A C13A C14A -1.2(5) . .
C12A C13A C14A C15A 0.4(6) . .
C13A C14A C15A C16A 0.0(6) . .
C14A C15A C16A C11A 0.5(6) . .
C12A C11A C16A C15A -1.4(5) . .
As1A C11A C16A C15A -177.1(3) . .
C11A As1A C21A C22A 1.3(3) . .
P1A As1A C21A C22A -95.2(2) . .
C11A As1A C21A C26A -178.9(2) . .
P1A As1A C21A C26A 84.6(2) . .
C12A N1A C22A C21A -2.3(5) . .
C12A N1A C22A C23A 177.1(3) . .
C26A C21A C22A N1A 179.7(3) . .
As1A C21A C22A N1A -0.4(4) . .
C26A C21A C22A C23A 0.3(4) . .
As1A C21A C22A C23A -179.9(2) . .
N1A C22A C23A C24A 178.8(3) . .
C21A C22A C23A C24A -1.7(5) . .
C22A C23A C24A C25A 0.8(5) . .
C23A C24A C25A C26A 1.4(5) . .
C24A C25A C26A C21A -2.8(5) . .
C22A C21A C26A C25A 2.0(5) . .
As1A C21A C26A C25A -177.8(2) . .
C51A P1A C31A C32A -38.0(3) . .
C41A P1A C31A C32A 81.9(3) . .
As1A P1A C31A C32A -159.7(2) . .
C51A P1A C31A C36A 150.5(2) . .
C41A P1A C31A C36A -89.5(3) . .
As1A P1A C31A C36A 28.8(3) . .
C36A C31A C32A C33A -0.4(4) . .
P1A C31A C32A C33A -171.8(2) . .
C31A C32A C33A C34A 1.0(5) . .
C32A C33A C34A C35A -0.7(5) . .
C33A C34A C35A C36A -0.2(5) . .
C34A C35A C36A C31A 0.8(5) . .
C32A C31A C36A C35A -0.5(5) . .
P1A C31A C36A C35A 171.1(3) . .
C51A P1A C41A C46A -154.1(2) . .
C31A P1A C41A C46A 85.6(3) . .
As1A P1A C41A C46A -35.8(3) . .
C51A P1A C41A C42A 28.2(3) . .
C31A P1A C41A C42A -92.1(3) . .
As1A P1A C41A C42A 146.5(2) . .
C46A C41A C42A C43A 2.2(5) . .
P1A C41A C42A C43A 179.9(3) . .
C41A C42A C43A C44A -1.1(6) . .
C42A C43A C44A C45A -0.1(7) . .
C43A C44A C45A C46A 0.1(7) . .
C42A C41A C46A C45A -2.2(5) . .
P1A C41A C46A C45A -179.9(3) . .
C44A C45A C46A C41A 1.0(6) . .
C41A P1A C51A C53A 35.7(3) . 3_565
C31A P1A C51A C53A 154.5(2) . 3_565
As1A P1A C51A C53A -81.8(2) . 3_565
C41A P1A C51A C52A -152.1(2) . .
C31A P1A C51A C52A -33.3(3) . .
As1A P1A C51A C52A 90.4(2) . .
C53A C51A C52A C53A -1.3(5) 3_565 .
P1A C51A C52A C53A -173.5(2) . .
C51A C52A C53A C51A 1.3(5) . 3_565
C21B As1B P1B C51B 48.56(13) . .
C11B As1B P1B C51B -49.47(14) . .
C21B As1B P1B C31B 167.55(13) . .
C11B As1B P1B C31B 69.51(14) . .
C21B As1B P1B C41B -72.10(13) . .
C11B As1B P1B C41B -170.14(14) . .
C21B As1B C11B C16B 177.0(2) . .
P1B As1B C11B C16B -87.4(2) . .
C21B As1B C11B C12B -0.9(3) . .
P1B As1B C11B C12B 94.7(2) . .
C22B N1B C12B C11B 4.8(5) . .
C22B N1B C12B C13B -174.8(3) . .
C16B C11B C12B N1B -179.2(3) . .
As1B C11B C12B N1B -1.4(4) . .
C16B C11B C12B C13B 0.4(4) . .
As1B C11B C12B C13B 178.3(2) . .
N1B C12B C13B C14B 180.0(3) . .
C11B C12B C13B C14B 0.3(5) . .
C12B C13B C14B C15B -0.1(5) . .
C13B C14B C15B C16B -0.7(5) . .
C14B C15B C16B C11B 1.4(5) . .
C12B C11B C16B C15B -1.3(5) . .
As1B C11B C16B C15B -179.2(3) . .
C11B As1B C21B C26B -176.5(2) . .
P1B As1B C21B C26B 90.4(2) . .
C11B As1B C21B C22B 0.6(3) . .
P1B As1B C21B C22B -92.5(2) . .
C12B N1B C22B C23B 174.0(3) . .
C12B N1B C22B C21B -5.1(5) . .
C26B C21B C22B N1B 179.0(3) . .
As1B C21B C22B N1B 2.0(4) . .
C26B C21B C22B C23B -0.1(4) . .
As1B C21B C22B C23B -177.2(2) . .
N1B C22B C23B C24B 179.8(3) . .
C21B C22B C23B C24B -1.0(5) . .
C22B C23B C24B C25B 1.2(6) . .
C23B C24B C25B C26B -0.3(5) . .
C24B C25B C26B C21B -0.9(5) . .
C22B C21B C26B C25B 1.1(5) . .
As1B C21B C26B C25B 178.3(2) . .
C51B P1B C31B C36B 147.5(2) . .
C41B P1B C31B C36B -94.9(3) . .
As1B P1B C31B C36B 27.8(3) . .
C51B P1B C31B C32B -36.2(3) . .
C41B P1B C31B C32B 81.4(3) . .
As1B P1B C31B C32B -155.8(2) . .
C36B C31B C32B C33B -0.8(5) . .
P1B C31B C32B C33B -177.2(2) . .
C31B C32B C33B C34B -0.6(5) . .
C32B C33B C34B C35B 1.2(6) . .
C33B C34B C35B C36B -0.4(6) . .
C34B C35B C36B C31B -0.9(5) . .
C32B C31B C36B C35B 1.5(5) . .
P1B C31B C36B C35B 177.9(3) . .
C51B P1B C41B C46B -143.8(2) . .
C31B P1B C41B C46B 99.2(2) . .
As1B P1B C41B C46B -23.0(3) . .
C51B P1B C41B C42B 43.4(3) . .
C31B P1B C41B C42B -73.6(3) . .
As1B P1B C41B C42B 164.2(2) . .
C46B C41B C42B C43B -0.9(4) . .
P1B C41B C42B C43B 172.0(2) . .
C41B C42B C43B C44B 0.6(5) . .
C42B C43B C44B C45B 0.2(5) . .
C43B C44B C45B C46B -0.7(5) . .
C44B C45B C46B C41B 0.4(5) . .
C42B C41B C46B C45B 0.4(4) . .
P1B C41B C46B C45B -172.4(2) . .
C31B P1B C51B C53B 149.9(2) . 3
C41B P1B C51B C53B 33.1(3) . 3
As1B P1B C51B C53B -89.3(2) . 3
C31B P1B C51B C52B -36.4(3) . .
C41B P1B C51B C52B -153.2(2) . .
As1B P1B C51B C52B 84.4(2) . .
C53B C51B C52B C53B -1.5(4) 3 .
P1B C51B C52B C53B -175.2(2) . .
C51B C52B C53B C51B 1.5(4) . 3
