#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:01:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178799 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/53/4105379.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_4105379
loop_
_publ_author_name
'Eamonn Conrad'
'Neil Burford'
'Robert McDonald'
'Michael J. Ferguson'
_publ_section_title
;
 Phosphinopnictonium Cations: High Yield and General Preparative
 Procedures for New Interpnictogen Frameworks Exploiting As→ P
 and Sb→ P Coordinate Bonds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17000
_journal_page_last               17008
_journal_paper_doi               10.1021/ja907613c
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C48 H40 As2 P2, 2(Al Cl4)'
_chemical_formula_sum            'C48 H40 Al2 As2 Cl8 P2'
_chemical_formula_weight         1166.14
_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                90.271(4)
_cell_angle_beta                 98.929(4)
_cell_angle_gamma                90.595(4)
_cell_formula_units_Z            2
_cell_length_a                   11.327(3)
_cell_length_b                   11.345(3)
_cell_length_c                   20.433(6)
_cell_measurement_reflns_used    9888
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.49
_cell_measurement_theta_min      2.50
_cell_volume                     2593.7(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-2008 (Beurskens et al., 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20986
_diffrn_reflns_theta_full        26.69
_diffrn_reflns_theta_max         26.69
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.829
_exptl_absorpt_correction_T_max  0.6099
_exptl_absorpt_correction_T_min  0.4733
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_description       prism
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.956
_refine_diff_density_min         -1.655
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         10833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0813
_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)+(0.1649P)²+3.5557P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2232
_refine_ls_wR_factor_ref         0.2448
_reflns_number_gt                8550
_reflns_number_total             10833
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja907613c_si_005.cif
_cod_data_source_block           dal0922
_cod_original_cell_volume        2593.7(13)
_cod_database_code               4105379
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
As1 As 0.26148(8) 0.03465(7) 0.49215(4) 0.0281(2) Uani 1 1 d .
P1 P 0.4608(2) 0.08279(18) 0.47793(10) 0.0306(5) Uani 1 1 d .
C11 C 0.1670(7) 0.0229(7) 0.4064(4) 0.0272(16) Uani 1 1 d .
C12 C 0.1711(9) 0.1167(8) 0.3631(4) 0.039(2) Uani 1 1 d .
H12 H 0.2177 0.1857 0.3752 0.047 Uiso 1 1 calc R
C13 C 0.1005(9) 0.1024(9) 0.2991(4) 0.044(2) Uani 1 1 d .
H13 H 0.1002 0.1642 0.2679 0.053 Uiso 1 1 calc R
C14 C 0.0337(10) 0.0035(11) 0.2811(5) 0.054(3) Uani 1 1 d .
H14 H -0.0100 -0.0030 0.2376 0.065 Uiso 1 1 calc R
C15 C 0.0289(10) -0.0864(9) 0.3251(5) 0.050(2) Uani 1 1 d .
H15 H -0.0206 -0.1534 0.3125 0.059 Uiso 1 1 calc R
C16 C 0.0965(8) -0.0803(8) 0.3885(4) 0.0373(19) Uani 1 1 d .
H16 H 0.0953 -0.1433 0.4189 0.045 Uiso 1 1 calc R
C21 C 0.2091(8) 0.1657(7) 0.5403(4) 0.0315(18) Uani 1 1 d .
C22 C 0.1054(8) 0.2233(8) 0.5113(4) 0.0369(19) Uani 1 1 d .
H22 H 0.0623 0.1999 0.4696 0.044 Uiso 1 1 calc R
C23 C 0.0692(10) 0.3181(8) 0.5480(4) 0.044(2) Uani 1 1 d .
H23 H -0.0021 0.3586 0.5314 0.053 Uiso 1 1 calc R
C24 C 0.1349(10) 0.3534(8) 0.6075(5) 0.045(2) Uani 1 1 d .
H24 H 0.1104 0.4198 0.6303 0.055 Uiso 1 1 calc R
C25 C 0.2339(10) 0.2945(10) 0.6337(5) 0.050(2) Uani 1 1 d .
H25 H 0.2759 0.3173 0.6758 0.060 Uiso 1 1 calc R
C26 C 0.2749(9) 0.2013(9) 0.6000(5) 0.044(2) Uani 1 1 d .
H26 H 0.3468 0.1625 0.6174 0.053 Uiso 1 1 calc R
C31 C 0.2443(8) -0.1070(7) 0.5405(4) 0.0317(18) Uani 1 1 d .
C32 C 0.2715(8) -0.2150(8) 0.5166(4) 0.0350(19) Uani 1 1 d .
H32 H 0.2963 -0.2214 0.4744 0.042 Uiso 1 1 calc R
C33 C 0.2624(10) -0.3160(8) 0.5550(5) 0.047(2) Uani 1 1 d .
H33 H 0.2828 -0.3908 0.5391 0.056 Uiso 1 1 calc R
C34 C 0.2248(12) -0.3074(10) 0.6148(6) 0.060(3) Uani 1 1 d .
H34 H 0.2174 -0.3772 0.6394 0.072 Uiso 1 1 calc R
C35 C 0.1969(10) -0.2001(10) 0.6411(5) 0.049(3) Uani 1 1 d .
H35 H 0.1734 -0.1958 0.6837 0.059 Uiso 1 1 calc R
C36 C 0.2041(8) -0.0997(8) 0.6039(4) 0.0338(19) Uani 1 1 d .
H36 H 0.1824 -0.0256 0.6201 0.041 Uiso 1 1 calc R
C41 C 0.4534(8) 0.0447(8) 0.3904(3) 0.0320(18) Uani 1 1 d .
C42 C 0.4744(9) 0.1381(9) 0.3497(5) 0.043(2) Uani 1 1 d .
H42 H 0.4943 0.2145 0.3676 0.052 Uiso 1 1 calc R
C43 C 0.4652(10) 0.1157(10) 0.2808(5) 0.050(3) Uani 1 1 d .
H43 H 0.4831 0.1773 0.2525 0.060 Uiso 1 1 calc R
C44 C 0.4309(9) 0.0068(11) 0.2540(4) 0.049(3) Uani 1 1 d .
H44 H 0.4233 -0.0053 0.2075 0.059 Uiso 1 1 calc R
C45 C 0.4075(9) -0.0854(10) 0.2947(4) 0.045(2) Uani 1 1 d .
H45 H 0.3842 -0.1605 0.2760 0.054 Uiso 1 1 calc R
C46 C 0.4179(8) -0.0677(8) 0.3630(4) 0.038(2) Uani 1 1 d .
H46 H 0.4015 -0.1305 0.3909 0.045 Uiso 1 1 calc R
As2 As 0.73928(8) 0.54400(7) 0.00769(4) 0.0286(2) Uani 1 1 d .
P2 P 0.5408(2) 0.5837(2) 0.02306(10) 0.0340(5) Uani 1 1 d .
C51 C 0.8360(7) 0.5407(8) 0.0936(4) 0.0320(17) Uani 1 1 d .
C52 C 0.8303(8) 0.6384(9) 0.1352(4) 0.042(2) Uani 1 1 d .
H52 H 0.7837 0.7047 0.1197 0.051 Uiso 1 1 calc R
C53 C 0.8928(9) 0.6377(12) 0.1988(5) 0.055(3) Uani 1 1 d .
H53 H 0.8876 0.7028 0.2275 0.067 Uiso 1 1 calc R
C54 C 0.9624(9) 0.5435(12) 0.2205(5) 0.055(3) Uani 1 1 d .
H54 H 1.0080 0.5436 0.2636 0.066 Uiso 1 1 calc R
C55 C 0.9650(8) 0.4465(10) 0.1777(5) 0.047(2) Uani 1 1 d .
H55 H 1.0123 0.3805 0.1929 0.057 Uiso 1 1 calc R
C56 C 0.9017(8) 0.4439(8) 0.1147(4) 0.0377(19) Uani 1 1 d .
H56 H 0.9034 0.3771 0.0867 0.045 Uiso 1 1 calc R
C61 C 0.7978(9) 0.6751(7) -0.0378(4) 0.0338(19) Uani 1 1 d .
C62 C 0.9119(8) 0.7216(8) -0.0168(4) 0.0354(19) Uani 1 1 d .
H62 H 0.9605 0.6890 0.0207 0.042 Uiso 1 1 calc R
C63 C 0.9558(9) 0.8157(9) -0.0503(5) 0.046(2) Uani 1 1 d .
H63 H 1.0329 0.8483 -0.0354 0.056 Uiso 1 1 calc R
C64 C 0.8859(10) 0.8595(9) -0.1046(5) 0.048(2) Uani 1 1 d .
H64 H 0.9156 0.9224 -0.1282 0.057 Uiso 1 1 calc R
C65 C 0.7751(12) 0.8157(11) -0.1257(6) 0.064(3) Uani 1 1 d .
H65 H 0.7283 0.8497 -0.1634 0.077 Uiso 1 1 calc R
C66 C 0.7259(10) 0.7198(10) -0.0932(5) 0.051(3) Uani 1 1 d .
H66 H 0.6484 0.6884 -0.1086 0.062 Uiso 1 1 calc R
C71 C 0.7558(8) 0.4029(7) -0.0420(4) 0.0311(18) Uani 1 1 d .
C72 C 0.7293(8) 0.2926(8) -0.0171(4) 0.037(2) Uani 1 1 d .
H72 H 0.7059 0.2858 0.0254 0.045 Uiso 1 1 calc R
C73 C 0.7381(9) 0.1924(9) -0.0564(5) 0.047(2) Uani 1 1 d .
H73 H 0.7196 0.1172 -0.0401 0.056 Uiso 1 1 calc R
C74 C 0.7726(10) 0.1999(9) -0.1173(5) 0.048(2) Uani 1 1 d .
H74 H 0.7789 0.1312 -0.1432 0.058 Uiso 1 1 calc R
C75 C 0.7985(10) 0.3111(10) -0.1406(5) 0.052(3) Uani 1 1 d .
H75 H 0.8218 0.3169 -0.1832 0.062 Uiso 1 1 calc R
C76 C 0.7915(9) 0.4141(9) -0.1040(4) 0.040(2) Uani 1 1 d .
H76 H 0.8102 0.4889 -0.1207 0.048 Uiso 1 1 calc R
C81 C 0.5516(8) 0.5457(8) 0.1109(4) 0.0353(19) Uani 1 1 d .
C82 C 0.5224(8) 0.6338(10) 0.1533(4) 0.044(2) Uani 1 1 d .
H82 H 0.4989 0.7090 0.1361 0.053 Uiso 1 1 calc R
C83 C 0.5274(9) 0.6125(12) 0.2205(5) 0.056(3) Uani 1 1 d .
H83 H 0.5078 0.6734 0.2489 0.067 Uiso 1 1 calc R
C84 C 0.5599(11) 0.5066(12) 0.2455(4) 0.058(3) Uani 1 1 d .
H84 H 0.5636 0.4931 0.2917 0.069 Uiso 1 1 calc R
C85 C 0.5886(10) 0.4157(10) 0.2045(4) 0.049(2) Uani 1 1 d .
H85 H 0.6110 0.3408 0.2226 0.058 Uiso 1 1 calc R
C86 C 0.5840(9) 0.4356(9) 0.1374(4) 0.042(2) Uani 1 1 d .
H86 H 0.6031 0.3740 0.1094 0.051 Uiso 1 1 calc R
Cl1 Cl 0.2737(3) 0.3881(3) 0.26753(13) 0.0581(7) Uani 1 1 d .
Cl2 Cl 0.2551(6) 0.6568(3) 0.3422(2) 0.135(2) Uani 1 1 d .
Cl3 Cl 0.0887(5) 0.4238(4) 0.3843(2) 0.1155(18) Uani 1 1 d .
Cl4 Cl 0.3865(6) 0.4061(6) 0.4346(2) 0.157(3) Uani 1 1 d .
Al1 Al 0.2619(4) 0.4741(4) 0.35807(17) 0.0750(12) Uani 1 1 d .
Cl5 Cl 0.7074(3) -0.0917(2) 0.22149(13) 0.0572(7) Uani 1 1 d .
Cl6 Cl 0.8039(4) 0.1837(3) 0.17279(16) 0.0799(10) Uani 1 1 d .
Cl7 Cl 0.5328(3) 0.0784(5) 0.09698(16) 0.0968(13) Uani 1 1 d .
Cl8 Cl 0.8003(5) -0.0555(3) 0.0689(2) 0.122(2) Uani 1 1 d .
Al2 Al 0.7065(3) 0.0242(3) 0.13905(14) 0.0487(7) Uani 1 1 d .
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'
Al Al 0.0645 0.0514 '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
C11 As1 C31 109.7(4) . .
C11 As1 C21 110.0(4) . .
C31 As1 C21 108.8(3) . .
C11 As1 P1 107.9(2) . .
C31 As1 P1 115.0(3) . .
C21 As1 P1 105.4(3) . .
C41 P1 P1 98.9(3) . 2_656
C41 P1 As1 99.7(3) . .
P1 P1 As1 95.16(12) 2_656 .
C12 C11 C16 122.3(7) . .
C12 C11 As1 117.9(6) . .
C16 C11 As1 119.7(6) . .
C11 C12 C13 115.7(8) . .
C14 C13 C12 122.6(9) . .
C13 C14 C15 120.7(9) . .
C14 C15 C16 120.4(10) . .
C15 C16 C11 118.3(8) . .
C26 C21 C22 122.7(8) . .
C26 C21 As1 120.1(7) . .
C22 C21 As1 117.2(6) . .
C21 C22 C23 115.7(8) . .
C24 C23 C22 121.4(9) . .
C25 C24 C23 120.5(9) . .
C24 C25 C26 120.9(10) . .
C21 C26 C25 118.6(10) . .
C32 C31 C36 119.4(8) . .
C32 C31 As1 121.4(6) . .
C36 C31 As1 119.2(6) . .
C31 C32 C33 119.5(8) . .
C34 C33 C32 120.3(9) . .
C33 C34 C35 122.2(9) . .
C36 C35 C34 118.4(8) . .
C35 C36 C31 120.1(8) . .
C42 C41 C46 120.7(7) . .
C42 C41 P1 114.9(7) . .
C46 C41 P1 124.1(6) . .
C41 C42 C43 117.9(9) . .
C44 C43 C42 121.5(9) . .
C43 C44 C45 120.2(8) . .
C44 C45 C46 120.0(10) . .
C45 C46 C41 119.5(8) . .
C71 As2 C51 111.8(4) . .
C71 As2 C61 108.5(3) . .
C51 As2 C61 105.9(4) . .
C71 As2 P2 114.2(3) . .
C51 As2 P2 107.7(2) . .
C61 As2 P2 108.4(3) . .
C81 P2 P2 99.8(3) . 2_665
C81 P2 As2 99.3(3) . .
P2 P2 As2 96.60(13) 2_665 .
C56 C51 C52 121.6(8) . .
C56 C51 As2 121.1(7) . .
C52 C51 As2 117.2(7) . .
C53 C52 C51 119.5(10) . .
C54 C53 C52 120.2(10) . .
C53 C54 C55 118.7(8) . .
C56 C55 C54 122.3(9) . .
C51 C56 C55 117.7(9) . .
C66 C61 C62 120.7(9) . .
C66 C61 As2 118.8(8) . .
C62 C61 As2 120.5(6) . .
C61 C62 C63 120.8(8) . .
C64 C63 C62 118.7(10) . .
C65 C64 C63 121.4(10) . .
C64 C65 C66 122.1(10) . .
C61 C66 C65 116.2(10) . .
C76 C71 C72 121.5(8) . .
C76 C71 As2 118.0(7) . .
C72 C71 As2 120.5(6) . .
C71 C72 C73 118.5(8) . .
C74 C73 C72 121.7(10) . .
C73 C74 C75 118.4(9) . .
C74 C75 C76 122.7(9) . .
C71 C76 C75 117.3(9) . .
C86 C81 C82 118.5(8) . .
C86 C81 P2 124.8(7) . .
C82 C81 P2 116.7(7) . .
C83 C82 C81 120.6(10) . .
C84 C83 C82 120.3(10) . .
C83 C84 C85 120.7(9) . .
C86 C85 C84 119.6(10) . .
C85 C86 C81 120.2(9) . .
Cl4 Al1 Cl2 119.7(4) . .
Cl4 Al1 Cl1 110.7(2) . .
Cl2 Al1 Cl1 108.9(2) . .
Cl4 Al1 Cl3 104.3(3) . .
Cl2 Al1 Cl3 106.0(3) . .
Cl1 Al1 Cl3 106.3(3) . .
Cl8 Al2 Cl7 112.8(2) . .
Cl8 Al2 Cl5 109.02(18) . .
Cl7 Al2 Cl5 113.36(19) . .
Cl8 Al2 Cl6 106.7(2) . .
Cl7 Al2 Cl6 105.9(2) . .
Cl5 Al2 Cl6 108.80(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1 C11 1.910(7) .
As1 C31 1.915(8) .
As1 C21 1.928(8) .
As1 P1 2.379(2) .
P1 C41 1.827(7) .
P1 P1 2.221(4) 2_656
C11 C12 1.392(12) .
C11 C16 1.424(11) .
C12 C13 1.430(13) .
C13 C14 1.362(15) .
C14 C15 1.370(15) .
C15 C16 1.400(13) .
C21 C26 1.382(13) .
C21 C22 1.400(12) .
C22 C23 1.409(12) .
C23 C24 1.379(14) .
C24 C25 1.350(15) .
C25 C26 1.382(14) .
C31 C32 1.372(12) .
C31 C36 1.440(11) .
C32 C33 1.404(12) .
C33 C34 1.357(15) .
C34 C35 1.389(16) .
C35 C36 1.382(13) .
C41 C42 1.390(12) .
C41 C46 1.419(13) .
C42 C43 1.418(13) .
C43 C44 1.377(16) .
C44 C45 1.387(15) .
C45 C46 1.395(12) .
As2 C71 1.919(8) .
As2 C51 1.921(8) .
As2 C61 1.923(9) .
As2 P2 2.365(2) .
P2 C81 1.834(9) .
P2 P2 2.241(5) 2_665
C51 C56 1.366(13) .
C51 C52 1.401(12) .
C52 C53 1.380(13) .
C53 C54 1.369(17) .
C54 C55 1.405(16) .
C55 C56 1.374(12) .
C61 C66 1.389(13) .
C61 C62 1.395(13) .
C62 C63 1.399(13) .
C63 C64 1.358(14) .
C64 C65 1.351(17) .
C65 C66 1.430(15) .
C71 C76 1.393(12) .
C71 C72 1.400(12) .
C72 C73 1.401(13) .
C73 C74 1.365(15) .
C74 C75 1.394(16) .
C75 C76 1.394(13) .
C81 C86 1.394(14) .
C81 C82 1.395(13) .
C82 C83 1.387(13) .
C83 C84 1.341(18) .
C84 C85 1.397(15) .
C85 C86 1.383(12) .
Cl1 Al1 2.110(4) .
Cl2 Al1 2.100(6) .
Cl3 Al1 2.184(7) .
Cl4 Al1 2.093(6) .
Cl5 Al2 2.141(4) .
Cl6 Al2 2.163(5) .
Cl7 Al2 2.119(5) .
Cl8 Al2 2.116(4) .
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_3
_geom_torsion_site_symmetry_4
C11 As1 P1 C41 -16.7(4) . . .
C31 As1 P1 C41 106.0(4) . . .
C21 As1 P1 C41 -134.2(4) . . .
C11 As1 P1 P1 -116.7(3) . . 2_656
C31 As1 P1 P1 6.0(3) . . 2_656
C21 As1 P1 P1 125.8(3) . . 2_656
C31 As1 C11 C12 -178.0(6) . . .
C21 As1 C11 C12 62.4(7) . . .
P1 As1 C11 C12 -52.1(7) . . .
C31 As1 C11 C16 1.3(7) . . .
C21 As1 C11 C16 -118.2(7) . . .
P1 As1 C11 C16 127.3(6) . . .
C16 C11 C12 C13 -0.5(12) . . .
As1 C11 C12 C13 178.8(6) . . .
C11 C12 C13 C14 -0.3(14) . . .
C12 C13 C14 C15 1.8(16) . . .
C13 C14 C15 C16 -2.5(17) . . .
C14 C15 C16 C11 1.8(15) . . .
C12 C11 C16 C15 -0.2(13) . . .
As1 C11 C16 C15 -179.6(7) . . .
C11 As1 C21 C26 -171.0(7) . . .
C31 As1 C21 C26 68.9(8) . . .
P1 As1 C21 C26 -54.9(8) . . .
C11 As1 C21 C22 7.3(8) . . .
C31 As1 C21 C22 -112.8(7) . . .
P1 As1 C21 C22 123.4(6) . . .
C26 C21 C22 C23 -2.2(13) . . .
As1 C21 C22 C23 179.6(6) . . .
C21 C22 C23 C24 2.1(13) . . .
C22 C23 C24 C25 -2.7(15) . . .
C23 C24 C25 C26 3.2(16) . . .
C22 C21 C26 C25 2.7(15) . . .
As1 C21 C26 C25 -179.1(8) . . .
C24 C25 C26 C21 -3.2(16) . . .
C11 As1 C31 C32 57.6(9) . . .
C21 As1 C31 C32 177.9(8) . . .
P1 As1 C31 C32 -64.2(8) . . .
C11 As1 C31 C36 -123.5(7) . . .
C21 As1 C31 C36 -3.2(8) . . .
P1 As1 C31 C36 114.7(7) . . .
C36 C31 C32 C33 -1.6(14) . . .
As1 C31 C32 C33 177.3(8) . . .
C31 C32 C33 C34 1.3(16) . . .
C32 C33 C34 C35 -1.6(19) . . .
C33 C34 C35 C36 2.2(18) . . .
C34 C35 C36 C31 -2.5(15) . . .
C32 C31 C36 C35 2.2(14) . . .
As1 C31 C36 C35 -176.7(8) . . .
P1 P1 C41 C42 -144.8(7) 2_656 . .
As1 P1 C41 C42 118.3(7) . . .
P1 P1 C41 C46 41.0(8) 2_656 . .
As1 P1 C41 C46 -55.8(8) . . .
C46 C41 C42 C43 -3.1(14) . . .
P1 C41 C42 C43 -177.5(8) . . .
C41 C42 C43 C44 3.1(16) . . .
C42 C43 C44 C45 -1.8(16) . . .
C43 C44 C45 C46 0.4(15) . . .
C44 C45 C46 C41 -0.4(14) . . .
C42 C41 C46 C45 1.8(14) . . .
P1 C41 C46 C45 175.6(7) . . .
C71 As2 P2 C81 106.4(4) . . .
C51 As2 P2 C81 -18.3(4) . . .
C61 As2 P2 C81 -132.4(4) . . .
C71 As2 P2 P2 5.4(3) . . 2_665
C51 As2 P2 P2 -119.4(3) . . 2_665
C61 As2 P2 P2 126.5(3) . . 2_665
C71 As2 C51 C56 -3.0(8) . . .
C61 As2 C51 C56 -121.1(7) . . .
P2 As2 C51 C56 123.1(6) . . .
C71 As2 C51 C52 -179.1(7) . . .
C61 As2 C51 C52 62.9(7) . . .
P2 As2 C51 C52 -52.9(7) . . .
C56 C51 C52 C53 0.4(14) . . .
As2 C51 C52 C53 176.5(8) . . .
C51 C52 C53 C54 1.7(16) . . .
C52 C53 C54 C55 -2.3(16) . . .
C53 C54 C55 C56 1.0(16) . . .
C52 C51 C56 C55 -1.7(13) . . .
As2 C51 C56 C55 -177.6(7) . . .
C54 C55 C56 C51 1.1(14) . . .
C71 As2 C61 C66 77.6(8) . . .
C51 As2 C61 C66 -162.3(7) . . .
P2 As2 C61 C66 -47.0(8) . . .
C71 As2 C61 C62 -100.2(7) . . .
C51 As2 C61 C62 19.9(7) . . .
P2 As2 C61 C62 135.2(6) . . .
C66 C61 C62 C63 1.2(13) . . .
As2 C61 C62 C63 179.0(6) . . .
C61 C62 C63 C64 -1.3(13) . . .
C62 C63 C64 C65 1.3(15) . . .
C63 C64 C65 C66 -1.2(18) . . .
C62 C61 C66 C65 -1.0(14) . . .
As2 C61 C66 C65 -178.8(8) . . .
C64 C65 C66 C61 1.0(18) . . .
C51 As2 C71 C76 -123.7(7) . . .
C61 As2 C71 C76 -7.2(8) . . .
P2 As2 C71 C76 113.8(7) . . .
C51 As2 C71 C72 58.1(8) . . .
C61 As2 C71 C72 174.6(7) . . .
P2 As2 C71 C72 -64.4(8) . . .
C76 C71 C72 C73 -0.6(14) . . .
As2 C71 C72 C73 177.5(7) . . .
C71 C72 C73 C74 0.6(15) . . .
C72 C73 C74 C75 -0.6(16) . . .
C73 C74 C75 C76 0.6(17) . . .
C72 C71 C76 C75 0.7(14) . . .
As2 C71 C76 C75 -177.5(7) . . .
C74 C75 C76 C71 -0.6(16) . . .
P2 P2 C81 C86 39.6(9) 2_665 . .
As2 P2 C81 C86 -58.9(8) . . .
P2 P2 C81 C82 -139.0(7) 2_665 . .
As2 P2 C81 C82 122.5(7) . . .
C86 C81 C82 C83 1.0(15) . . .
P2 C81 C82 C83 179.7(8) . . .
C81 C82 C83 C84 -0.3(17) . . .
C82 C83 C84 C85 -0.4(18) . . .
C83 C84 C85 C86 0.4(17) . . .
C84 C85 C86 C81 0.2(16) . . .
C82 C81 C86 C85 -0.9(15) . . .
P2 C81 C86 C85 -179.5(8) . . .
As1 P1 P1 As1 180.0 . 2_656 2_656
As1 P1 P1 C11 -150.62(13) . 2_656 2_656
C11 P1 P1 C11 180.0 . 2_656 2_656
As2 P2 P2 As2 180.0 . 2_665 2_665
As2 P2 P2 C21 -63.97(8) . 2_665 2_665
C21 P2 P2 C21 180.0 . 2_665 2_665
