#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:46:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179154 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/15/4311596.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_4311596
loop_
_publ_author_name
'Bobby D. Ellis'
'Charles L. B. Macdonald'
_publ_contact_author             'Charles L. B. Macdonald'
_publ_contact_author_email       cmacd@uwindsor.ca
_publ_section_title
;
 Stabilized Arsenic(I) Iodide: A Ready Source of Arsenic Iodide Fragments
 and a Useful Reagent for the Generation of Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5981
_journal_page_last               5986
_journal_paper_doi               10.1021/ic049281s
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         '[C26 H24 As P2][C26 H24 As2 I7 P2]'
_chemical_formula_sum            'C52 H48 As3 I7 P4'
_chemical_formula_weight         1909.84
_chemical_name_common            '[(dppe)As][(dppe)As2I7]'
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 91.508(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.1484(15)
_cell_length_b                   18.8443(15)
_cell_length_c                   16.6084(13)
_cell_measurement_reflns_used    7121
_cell_measurement_temperature    174(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.39
_cell_volume                     5990.9(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1997)'
_diffrn_ambient_temperature      174(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0489
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            56704
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    5.411
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.117
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       diamond
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.610
_refine_diff_density_min         -0.690
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         13767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0478P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.0985
_reflns_number_gt                10044
_reflns_number_total             13767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049281ssi20040706_063143_1.cif
_cod_data_source_block           p21c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4311596
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C11 C 0.7453(4) -0.3601(4) 1.0177(4) 0.0455(17) Uani 1 1 d . . .
H11A H 0.7545 -0.3727 1.0736 0.055 Uiso 1 1 calc R . .
H11B H 0.6964 -0.3697 1.0049 0.055 Uiso 1 1 calc R . .
C12 C 0.7874(3) -0.4003(3) 0.9681(4) 0.0435(16) Uani 1 1 d . . .
H12A H 0.7753 -0.4501 0.9724 0.052 Uiso 1 1 calc R . .
H12B H 0.8360 -0.3947 0.9847 0.052 Uiso 1 1 calc R . .
C21 C 0.7575(3) 0.2943(3) 0.4735(3) 0.0300(12) Uani 1 1 d . . .
H21A H 0.7438 0.3393 0.4967 0.036 Uiso 1 1 calc R . .
H21B H 0.7831 0.3043 0.4252 0.036 Uiso 1 1 calc R . .
C22 C 0.6923(3) 0.2520(3) 0.4510(3) 0.0301(12) Uani 1 1 d . . .
H22A H 0.7059 0.2079 0.4257 0.036 Uiso 1 1 calc R . .
H22B H 0.6643 0.2787 0.4121 0.036 Uiso 1 1 calc R . .
C111 C 0.8424(3) -0.2482(3) 1.0623(4) 0.0363(13) Uani 1 1 d . . .
C112 C 0.8398(3) -0.2505(3) 1.1459(3) 0.0370(14) Uani 1 1 d . . .
H112 H 0.7972 -0.2559 1.1708 0.044 Uiso 1 1 calc R . .
C113 C 0.9009(3) -0.2446(3) 1.1917(4) 0.0408(14) Uani 1 1 d . . .
H113 H 0.8995 -0.2453 1.2476 0.049 Uiso 1 1 calc R . .
C114 C 0.9633(3) -0.2378(4) 1.1543(5) 0.057(2) Uani 1 1 d . . .
H114 H 1.0043 -0.2339 1.1853 0.068 Uiso 1 1 calc R . .
C115 C 0.9665(4) -0.2366(4) 1.0729(5) 0.064(2) Uani 1 1 d . . .
H115 H 1.0096 -0.2326 1.0488 0.077 Uiso 1 1 calc R . .
C116 C 0.9061(4) -0.2412(4) 1.0252(4) 0.0543(18) Uani 1 1 d . . .
H116 H 0.9082 -0.2395 0.9693 0.065 Uiso 1 1 calc R . .
C121 C 0.6966(3) -0.2092(4) 1.0413(3) 0.0401(15) Uani 1 1 d . . .
C122 C 0.6275(4) -0.2298(4) 1.0366(5) 0.066(2) Uani 1 1 d . . .
H122 H 0.6161 -0.2748 1.0172 0.080 Uiso 1 1 calc R . .
C123 C 0.5754(4) -0.1853(5) 1.0600(5) 0.067(2) Uani 1 1 d . . .
H123 H 0.5291 -0.2002 1.0567 0.081 Uiso 1 1 calc R . .
C124 C 0.5910(4) -0.1197(4) 1.0877(4) 0.0548(19) Uani 1 1 d . . .
H124 H 0.5556 -0.0895 1.1038 0.066 Uiso 1 1 calc R . .
C125 C 0.6597(4) -0.0976(4) 1.0923(4) 0.0569(19) Uani 1 1 d . . .
H125 H 0.6704 -0.0523 1.1110 0.068 Uiso 1 1 calc R . .
C126 C 0.7123(3) -0.1422(3) 1.0692(4) 0.0441(15) Uani 1 1 d . . .
H126 H 0.7586 -0.1272 1.0724 0.053 Uiso 1 1 calc R . .
C131 C 0.8427(3) -0.4062(3) 0.8024(4) 0.0360(13) Uani 1 1 d . . .
C132 C 0.9119(3) -0.3939(3) 0.8272(4) 0.0424(15) Uani 1 1 d . . .
H132 H 0.9214 -0.3692 0.8748 0.051 Uiso 1 1 calc R . .
C133 C 0.9653(3) -0.4177(4) 0.7825(4) 0.0499(17) Uani 1 1 d . . .
H133 H 1.0111 -0.4092 0.7996 0.060 Uiso 1 1 calc R . .
C134 C 0.9522(4) -0.4546(4) 0.7117(5) 0.0557(19) Uani 1 1 d . . .
H134 H 0.9890 -0.4710 0.6813 0.067 Uiso 1 1 calc R . .
C135 C 0.8843(4) -0.4669(5) 0.6868(5) 0.062(2) Uani 1 1 d . . .
H135 H 0.8752 -0.4918 0.6394 0.075 Uiso 1 1 calc R . .
C136 C 0.8291(3) -0.4424(4) 0.7317(4) 0.0490(17) Uani 1 1 d . . .
H136 H 0.7832 -0.4503 0.7142 0.059 Uiso 1 1 calc R . .
C141 C 0.6923(3) -0.4075(4) 0.8279(4) 0.0411(15) Uani 1 1 d . . .
C142 C 0.6366(3) -0.3624(4) 0.8057(4) 0.0494(17) Uani 1 1 d . . .
H142 H 0.6426 -0.3135 0.8074 0.059 Uiso 1 1 calc R . .
C143 C 0.5727(4) -0.3906(5) 0.7812(4) 0.064(2) Uani 1 1 d . . .
H143 H 0.5359 -0.3609 0.7659 0.076 Uiso 1 1 calc R . .
C144 C 0.5645(4) -0.4630(5) 0.7800(5) 0.068(2) Uani 1 1 d . . .
H144 H 0.5213 -0.4821 0.7648 0.082 Uiso 1 1 calc R . .
C145 C 0.6196(4) -0.5088(5) 0.8010(5) 0.062(2) Uani 1 1 d . . .
H145 H 0.6138 -0.5577 0.7982 0.074 Uiso 1 1 calc R . .
C146 C 0.6824(3) -0.4801(4) 0.8258(4) 0.0506(18) Uani 1 1 d . . .
H146 H 0.7190 -0.5100 0.8415 0.061 Uiso 1 1 calc R . .
C211 C 0.8830(3) 0.3108(3) 0.5725(3) 0.0300(12) Uani 1 1 d . . .
C212 C 0.9260(3) 0.3010(4) 0.6390(4) 0.0494(17) Uani 1 1 d . . .
H212 H 0.9162 0.2653 0.6757 0.059 Uiso 1 1 calc R . .
C213 C 0.9838(4) 0.3438(4) 0.6518(4) 0.0543(19) Uani 1 1 d . . .
H213 H 1.0124 0.3370 0.6973 0.065 Uiso 1 1 calc R . .
C214 C 0.9994(3) 0.3962(4) 0.5982(4) 0.0474(17) Uani 1 1 d . . .
H214 H 1.0391 0.4240 0.6063 0.057 Uiso 1 1 calc R . .
C215 C 0.9565(4) 0.4073(4) 0.5326(4) 0.059(2) Uani 1 1 d . . .
H215 H 0.9663 0.4433 0.4963 0.070 Uiso 1 1 calc R . .
C216 C 0.8980(4) 0.3648(3) 0.5199(4) 0.0470(16) Uani 1 1 d . . .
H216 H 0.8687 0.3730 0.4753 0.056 Uiso 1 1 calc R . .
C221 C 0.8604(3) 0.1792(3) 0.4911(3) 0.0279(11) Uani 1 1 d . . .
C222 C 0.8533(3) 0.1712(3) 0.4075(3) 0.0331(13) Uani 1 1 d . . .
H222 H 0.8227 0.2000 0.3779 0.040 Uiso 1 1 calc R . .
C223 C 0.8923(3) 0.1201(4) 0.3691(4) 0.0458(16) Uani 1 1 d . . .
H223 H 0.8875 0.1144 0.3136 0.055 Uiso 1 1 calc R . .
C224 C 0.9383(3) 0.0777(4) 0.4125(4) 0.0490(17) Uani 1 1 d . . .
H224 H 0.9648 0.0438 0.3863 0.059 Uiso 1 1 calc R . .
C225 C 0.9446(4) 0.0857(4) 0.4952(4) 0.057(2) Uani 1 1 d . . .
H225 H 0.9758 0.0573 0.5245 0.068 Uiso 1 1 calc R . .
C226 C 0.9053(3) 0.1352(3) 0.5344(4) 0.0426(15) Uani 1 1 d . . .
H226 H 0.9090 0.1392 0.5901 0.051 Uiso 1 1 calc R . .
C231 C 0.5902(3) 0.3098(3) 0.5634(3) 0.0349(13) Uani 1 1 d . . .
C232 C 0.5974(3) 0.3740(3) 0.5231(4) 0.0424(15) Uani 1 1 d . . .
H232 H 0.6291 0.3785 0.4820 0.051 Uiso 1 1 calc R . .
C233 C 0.5566(4) 0.4312(4) 0.5451(5) 0.0534(18) Uani 1 1 d . . .
H233 H 0.5620 0.4745 0.5192 0.064 Uiso 1 1 calc R . .
C234 C 0.5087(4) 0.4254(4) 0.6040(4) 0.061(2) Uani 1 1 d . . .
H234 H 0.4817 0.4643 0.6182 0.074 Uiso 1 1 calc R . .
C235 C 0.5008(4) 0.3603(4) 0.6426(4) 0.063(2) Uani 1 1 d . . .
H235 H 0.4668 0.3552 0.6811 0.076 Uiso 1 1 calc R . .
C236 C 0.5422(3) 0.3040(4) 0.6246(4) 0.0497(17) Uani 1 1 d . . .
H236 H 0.5385 0.2618 0.6532 0.060 Uiso 1 1 calc R . .
C241 C 0.5741(3) 0.1701(3) 0.5014(3) 0.0312(12) Uani 1 1 d . . .
C242 C 0.5381(3) 0.1271(3) 0.5523(4) 0.0390(14) Uani 1 1 d . . .
H242 H 0.5506 0.1255 0.6068 0.047 Uiso 1 1 calc R . .
C243 C 0.4835(3) 0.0861(4) 0.5230(4) 0.0483(17) Uani 1 1 d . . .
H243 H 0.4593 0.0572 0.5580 0.058 Uiso 1 1 calc R . .
C244 C 0.4642(3) 0.0876(4) 0.4419(4) 0.0494(17) Uani 1 1 d . . .
H244 H 0.4274 0.0597 0.4223 0.059 Uiso 1 1 calc R . .
C245 C 0.5000(3) 0.1305(4) 0.3916(4) 0.0539(19) Uani 1 1 d . . .
H245 H 0.4872 0.1319 0.3373 0.065 Uiso 1 1 calc R . .
C246 C 0.5548(3) 0.1719(4) 0.4195(4) 0.0478(17) Uani 1 1 d . . .
H246 H 0.5788 0.2009 0.3842 0.057 Uiso 1 1 calc R . .
P11 P 0.76386(9) -0.26467(9) 1.00228(9) 0.0368(4) Uani 1 1 d . . .
P12 P 0.77418(8) -0.36996(9) 0.86285(9) 0.0358(3) Uani 1 1 d . . .
P21 P 0.81410(7) 0.24776(8) 0.54474(8) 0.0257(3) Uani 1 1 d . . .
P22 P 0.64010(7) 0.23226(8) 0.53822(8) 0.0285(3) Uani 1 1 d . . .
As1 As 0.77507(4) -0.25044(4) 0.86837(4) 0.04929(18) Uani 1 1 d . . .
As2 As 0.72951(3) 0.20054(3) 0.64698(3) 0.02555(12) Uani 1 1 d . . .
As3 As 0.75727(3) 0.01336(3) 0.75622(3) 0.03167(13) Uani 1 1 d . . .
I1 I 0.73037(2) 0.33871(2) 0.70632(2) 0.03989(10) Uani 1 1 d . . .
I2 I 0.72560(2) 0.06561(2) 0.56769(2) 0.03528(10) Uani 1 1 d . . .
I3 I 0.62743(2) 0.13317(3) 0.77276(2) 0.04138(11) Uani 1 1 d . . .
I4 I 0.847145(18) 0.15109(2) 0.76889(2) 0.02933(9) Uani 1 1 d . . .
I5 I 0.66955(2) -0.09586(3) 0.73498(3) 0.04832(12) Uani 1 1 d . . .
I6 I 0.86800(2) -0.05580(2) 0.70568(3) 0.04529(11) Uani 1 1 d . . .
I7 I 0.77625(3) -0.01003(3) 0.91182(3) 0.06241(15) 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'
P P 0.1023 0.0942 '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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C12 C11 P11 109.3(4) . . ?
C11 C12 P12 108.9(4) . . ?
C22 C21 P21 112.4(4) . . ?
C21 C22 P22 112.0(4) . . ?
C116 C111 C112 120.1(6) . . ?
C116 C111 P11 120.0(5) . . ?
C112 C111 P11 119.5(5) . . ?
C113 C112 C111 119.6(6) . . ?
C114 C113 C112 119.7(6) . . ?
C115 C114 C113 121.1(7) . . ?
C114 C115 C116 120.7(7) . . ?
C111 C116 C115 118.8(7) . . ?
C126 C121 C122 118.7(7) . . ?
C126 C121 P11 120.2(5) . . ?
C122 C121 P11 120.8(6) . . ?
C123 C122 C121 121.0(7) . . ?
C124 C123 C122 120.2(7) . . ?
C123 C124 C125 119.8(7) . . ?
C126 C125 C124 120.3(7) . . ?
C121 C126 C125 120.0(6) . . ?
C136 C131 C132 119.4(6) . . ?
C136 C131 P12 122.5(5) . . ?
C132 C131 P12 118.1(5) . . ?
C133 C132 C131 120.4(6) . . ?
C132 C133 C134 120.7(6) . . ?
C135 C134 C133 119.2(7) . . ?
C134 C135 C136 120.7(7) . . ?
C131 C136 C135 119.5(6) . . ?
C146 C141 C142 119.3(6) . . ?
C146 C141 P12 120.9(5) . . ?
C142 C141 P12 119.7(5) . . ?
C143 C142 C141 120.3(8) . . ?
C144 C143 C142 119.0(8) . . ?
C143 C144 C145 121.5(7) . . ?
C146 C145 C144 118.8(8) . . ?
C145 C146 C141 121.0(7) . . ?
C212 C211 C216 118.5(6) . . ?
C212 C211 P21 122.0(5) . . ?
C216 C211 P21 118.9(5) . . ?
C211 C212 C213 120.5(6) . . ?
C214 C213 C212 120.6(6) . . ?
C215 C214 C213 119.6(6) . . ?
C214 C215 C216 120.0(6) . . ?
C211 C216 C215 120.8(6) . . ?
C226 C221 C222 119.6(5) . . ?
C226 C221 P21 118.5(4) . . ?
C222 C221 P21 121.9(4) . . ?
C223 C222 C221 119.5(5) . . ?
C224 C223 C222 120.5(6) . . ?
C223 C224 C225 119.6(6) . . ?
C226 C225 C224 120.6(6) . . ?
C225 C226 C221 120.1(6) . . ?
C236 C231 C232 119.7(6) . . ?
C236 C231 P22 118.1(5) . . ?
C232 C231 P22 122.2(5) . . ?
C233 C232 C231 119.0(6) . . ?
C234 C233 C232 121.5(7) . . ?
C233 C234 C235 118.9(7) . . ?
C236 C235 C234 121.0(7) . . ?
C235 C236 C231 119.9(7) . . ?
C242 C241 C246 119.3(5) . . ?
C242 C241 P22 122.0(4) . . ?
C246 C241 P22 118.3(5) . . ?
C241 C242 C243 120.1(6) . . ?
C242 C243 C244 120.9(6) . . ?
C245 C244 C243 118.8(6) . . ?
C244 C245 C246 121.5(6) . . ?
C245 C246 C241 119.4(6) . . ?
C121 P11 C111 107.2(3) . . ?
C121 P11 C11 111.9(3) . . ?
C111 P11 C11 104.5(3) . . ?
C121 P11 As1 112.0(2) . . ?
C111 P11 As1 115.0(2) . . ?
C11 P11 As1 106.0(2) . . ?
C141 P12 C131 108.1(3) . . ?
C141 P12 C12 106.2(3) . . ?
C131 P12 C12 109.0(3) . . ?
C141 P12 As1 114.2(2) . . ?
C131 P12 As1 113.3(2) . . ?
C12 P12 As1 105.6(2) . . ?
C21 P21 C221 108.4(3) . . ?
C21 P21 C211 105.4(3) . . ?
C221 P21 C211 103.2(2) . . ?
C21 P21 As2 103.02(18) . . ?
C221 P21 As2 114.03(18) . . ?
C211 P21 As2 121.92(18) . . ?
C231 P22 C241 103.4(3) . . ?
C231 P22 C22 109.0(3) . . ?
C241 P22 C22 104.8(3) . . ?
C231 P22 As2 112.29(19) . . ?
C241 P22 As2 122.69(19) . . ?
C22 P22 As2 103.95(18) . . ?
P12 As1 P11 85.44(6) . . ?
P22 As2 P21 82.60(5) . . ?
P22 As2 I1 91.68(4) . . ?
P21 As2 I1 84.90(4) . . ?
P22 As2 I2 82.66(4) . . ?
P21 As2 I2 90.75(4) . . ?
I1 As2 I2 173.28(2) . . ?
P22 As2 I4 174.19(4) . . ?
P21 As2 I4 94.36(4) . . ?
I1 As2 I4 92.981(18) . . ?
I2 As2 I4 92.454(18) . . ?
P22 As2 I3 98.52(4) . . ?
P21 As2 I3 176.83(4) . . ?
I1 As2 I3 98.02(2) . . ?
I2 As2 I3 86.458(19) . . ?
I4 As2 I3 84.264(17) . . ?
I7 As3 I6 97.92(3) . . ?
I7 As3 I5 94.04(2) . . ?
I6 As3 I5 94.87(2) . . ?
I7 As3 I4 90.65(2) . . ?
I6 As3 I4 89.20(2) . . ?
I5 As3 I4 173.31(3) . . ?
I7 As3 I2 171.85(3) . . ?
I6 As3 I2 88.56(2) . . ?
I5 As3 I2 90.306(19) . . ?
I4 As3 I2 84.472(17) . . ?
I7 As3 I3 96.59(2) . . ?
I6 As3 I3 162.58(3) . . ?
I5 As3 I3 93.67(2) . . ?
I4 As3 I3 81.032(18) . . ?
I2 As3 I3 76.227(16) . . ?
As2 I2 As3 80.086(18) . . ?
As2 I3 As3 75.252(17) . . ?
As3 I4 As2 79.496(17) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C11 C12 1.391(9) . ?
C11 P11 1.852(6) . ?
C12 P12 1.851(6) . ?
C21 C22 1.520(8) . ?
C21 P21 1.810(5) . ?
C22 P22 1.821(5) . ?
C111 C116 1.386(9) . ?
C111 C112 1.392(8) . ?
C111 P11 1.809(6) . ?
C112 C113 1.383(8) . ?
C113 C114 1.368(9) . ?
C114 C115 1.355(10) . ?
C115 C116 1.389(10) . ?
C121 C126 1.374(9) . ?
C121 C122 1.379(9) . ?
C121 P11 1.794(7) . ?
C122 C123 1.367(10) . ?
C123 C124 1.349(11) . ?
C124 C125 1.380(10) . ?
C125 C126 1.376(9) . ?
C131 C136 1.376(9) . ?
C131 C132 1.397(8) . ?
C131 P12 1.806(6) . ?
C132 C133 1.356(9) . ?
C133 C134 1.383(10) . ?
C134 C135 1.374(10) . ?
C135 C136 1.389(9) . ?
C141 C146 1.382(9) . ?
C141 C142 1.405(9) . ?
C141 P12 1.802(6) . ?
C142 C143 1.384(10) . ?
C143 C144 1.375(12) . ?
C144 C145 1.400(11) . ?
C145 C146 1.372(9) . ?
C211 C212 1.374(8) . ?
C211 C216 1.378(8) . ?
C211 P21 1.825(6) . ?
C212 C213 1.382(9) . ?
C213 C214 1.368(9) . ?
C214 C215 1.364(10) . ?
C215 C216 1.387(9) . ?
C221 C226 1.382(8) . ?
C221 C222 1.400(7) . ?
C221 P21 1.814(5) . ?
C222 C223 1.383(8) . ?
C223 C224 1.378(9) . ?
C224 C225 1.384(9) . ?
C225 C226 1.374(8) . ?
C231 C236 1.392(9) . ?
C231 C232 1.392(9) . ?
C231 P22 1.801(6) . ?
C232 C233 1.386(9) . ?
C233 C234 1.361(10) . ?
C234 C235 1.395(11) . ?
C235 C236 1.361(9) . ?
C241 C242 1.371(8) . ?
C241 C246 1.401(8) . ?
C241 P22 1.817(6) . ?
C242 C243 1.379(8) . ?
C243 C244 1.386(9) . ?
C244 C245 1.362(10) . ?
C245 C246 1.378(9) . ?
P11 As1 2.2559(17) . ?
P12 As1 2.2542(18) . ?
P21 As2 2.5383(15) . ?
P22 As2 2.5275(14) . ?
As2 I1 2.7838(7) . ?
As2 I2 2.8636(7) . ?
As2 I4 3.1307(6) . ?
As2 I3 3.1641(7) . ?
As3 I7 2.6373(7) . ?
As3 I6 2.6442(7) . ?
As3 I5 2.6741(7) . ?
As3 I4 3.1182(7) . ?
As3 I2 3.3229(7) . ?
As3 I3 3.3749(8) . ?
