#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/89/4318914.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_4318914
loop_
_publ_author_name
'Keith A. Porter'
'Anthony C. Willis'
'Johann Zank'
'S. Bruce Wild'
_publ_contact_author_address
;
Research School of Chemistry,
Australian National University,
Canberra, A. C. T. 0200, Australia
;
_publ_contact_author_email       ' willis@rsc.anu.edu.au '
_publ_contact_author_fax         ' 61 2 6125 0750 '
_publ_contact_author_name        ' Anthony C. Willis '
_publ_contact_author_phone       ' 61 2 6125 4109 '
_publ_section_title
;
 Phosphine-Stabilized Arsenium Salts: Water-Stable, Labile, Coordination
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6380
_journal_page_last               6386
_journal_paper_doi               10.1021/ic020410j
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C27 H27 As O P +, F6 P -'
_chemical_formula_sum            'C27 H27 As F6 O P2'
_chemical_formula_weight         618.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2000-10-17
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
2000-10-17 - Report on C27 H27 As F6 O P2
                by Anthony C. Willis
                for Keith A. Porter, Johann Zank and S. Bruce Wild

2000-10-17 - passes checkcif tests with no warnings
;
_cell_angle_alpha                99.0162(9)
_cell_angle_beta                 105.2121(9)
_cell_angle_gamma                116.4717(9)
_cell_formula_units_Z            2
_cell_length_a                   10.8077(2)
_cell_length_b                   10.9741(2)
_cell_length_c                   13.5648(2)
_cell_measurement_reflns_used    23576
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      4.076
_cell_volume                     1318.11(4)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      200.0
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ' omega scans with CCD'
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      0.04973
_diffrn_orient_matrix_UB_12      0.04830
_diffrn_orient_matrix_UB_13      0.07970
_diffrn_orient_matrix_UB_21      -0.05147
_diffrn_orient_matrix_UB_22      -0.09487
_diffrn_orient_matrix_UB_23      0.01168
_diffrn_orient_matrix_UB_31      0.08555
_diffrn_orient_matrix_UB_32      -0.01366
_diffrn_orient_matrix_UB_33      0.00016
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.03970
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            37453
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         4.09
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.473
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)   implemented in maXus (1999)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             628.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.058
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6161
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo)] '
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0429
_refine_ls_wR_factor_ref         0.0396
_reflns_number_gt                6161
_reflns_number_total             7699
_reflns_threshold_expression     I>2.00σ(I)
_cod_data_source_file            ic020410j_2.cif
_cod_data_source_block           kap7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1318.11(5)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C27 H27 As F6 O P2 '
_cod_database_code               4318914
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
As(1) 0.73232(2) 0.60504(2) 0.93339(1) 0.02777(5) 1.000 . Uani d ?
P(1) 0.64421(5) 0.57070(5) 0.74602(3) 0.0231(1) 1.000 . Uani d ?
P(2) 1.01225(6) 0.71343(6) 1.28405(4) 0.0349(1) 1.000 . Uani d ?
F(1) 0.8948(2) 0.7099(2) 1.1831(1) 0.0808(6) 1.000 . Uani d ?
F(2) 1.1393(2) 0.7985(2) 1.2418(1) 0.0789(6) 1.000 . Uani d ?
F(3) 1.0364(2) 0.8600(1) 1.3514(1) 0.0657(5) 1.000 . Uani d ?
F(4) 1.1337(2) 0.7217(2) 1.3863(1) 0.0619(5) 1.000 . Uani d ?
F(5) 0.8862(2) 0.6285(2) 1.3255(1) 0.0722(5) 1.000 . Uani d ?
F(6) 0.9926(2) 0.5692(2) 1.2183(1) 0.0799(6) 1.000 . Uani d ?
O(1) 0.8345(2) 0.8618(1) 0.8722(1) 0.0364(4) 1.000 . Uani d ?
C(1) 0.7883(2) 0.6493(2) 0.6910(1) 0.0264(4) 1.000 . Uani d ?
C(2) 0.8002(2) 0.5553(2) 0.6167(2) 0.0319(5) 1.000 . Uani d ?
C(3) 0.8991(2) 0.6060(2) 0.5656(2) 0.0393(6) 1.000 . Uani d ?
C(4) 0.9893(2) 0.7513(2) 0.5888(2) 0.0393(6) 1.000 . Uani d ?
C(5) 0.9823(2) 0.8457(2) 0.6644(2) 0.0375(5) 1.000 . Uani d ?
C(6) 0.8827(2) 0.7983(2) 0.7161(1) 0.0304(5) 1.000 . Uani d ?
C(7) 0.8750(2) 0.9100(2) 0.7886(2) 0.0390(5) 1.000 . Uani d ?
C(8) 0.7981(3) 0.9521(2) 0.9303(2) 0.0537(7) 1.000 . Uani d ?
C(9) 0.5262(2) 0.6473(2) 0.7199(1) 0.0255(4) 1.000 . Uani d ?
C(10) 0.5135(2) 0.7012(2) 0.6340(1) 0.0331(5) 1.000 . Uani d ?
C(11) 0.4247(2) 0.7616(2) 0.6150(2) 0.0408(6) 1.000 . Uani d ?
C(12) 0.3476(2) 0.7668(2) 0.6809(2) 0.0427(6) 1.000 . Uani d ?
C(13) 0.3572(2) 0.7106(2) 0.7645(2) 0.0410(6) 1.000 . Uani d ?
C(14) 0.4478(2) 0.6522(2) 0.7855(2) 0.0333(5) 1.000 . Uani d ?
C(15) 0.5299(2) 0.3803(2) 0.6739(1) 0.0251(4) 1.000 . Uani d ?
C(16) 0.3784(2) 0.3168(2) 0.6135(1) 0.0305(5) 1.000 . Uani d ?
C(17) 0.2930(2) 0.1693(2) 0.5642(2) 0.0386(5) 1.000 . Uani d ?
C(18) 0.3580(2) 0.0857(2) 0.5740(2) 0.0399(5) 1.000 . Uani d ?
C(19) 0.5078(2) 0.1478(2) 0.6354(2) 0.0357(5) 1.000 . Uani d ?
C(20) 0.5941(2) 0.2949(2) 0.6861(1) 0.0286(4) 1.000 . Uani d ?
C(21) 0.9250(2) 0.6258(2) 0.9436(2) 0.0363(5) 1.000 . Uani d ?
C(22) 0.6208(2) 0.4031(2) 0.9241(1) 0.0303(5) 1.000 . Uani d ?
C(23) 0.6895(3) 0.3275(2) 0.9550(2) 0.0450(7) 1.000 . Uani d ?
C(24) 0.6028(4) 0.1827(3) 0.9431(2) 0.0598(9) 1.000 . Uani d ?
C(25) 0.4504(4) 0.1151(3) 0.9022(2) 0.0601(8) 1.000 . Uani d ?
C(26) 0.3808(3) 0.1903(2) 0.8743(2) 0.0474(6) 1.000 . Uani d ?
C(27) 0.4655(2) 0.3347(2) 0.8862(2) 0.0357(5) 1.000 . Uani d ?
H(1) 0.7392 0.4547 0.6010 0.038 1.000 . Uiso c ?
H(2) 0.9047 0.5405 0.5146 0.047 1.000 . Uiso c ?
H(3) 1.0562 0.7867 0.5530 0.047 1.000 . Uiso c ?
H(4) 1.0475 0.9459 0.6816 0.045 1.000 . Uiso c ?
H(5) 0.9698 0.9958 0.8190 0.047 1.000 . Uiso c ?
H(6) 0.8028 0.9284 0.7481 0.047 1.000 . Uiso c ?
H(7) 0.7211 0.9579 0.8819 0.064 1.000 . Uiso c ?
H(8) 0.7652 0.9135 0.9826 0.064 1.000 . Uiso c ?
H(9) 0.8839 1.0454 0.9652 0.064 1.000 . Uiso c ?
H(10) 0.5656 0.6965 0.5883 0.040 1.000 . Uiso c ?
H(11) 0.4168 0.7994 0.5568 0.049 1.000 . Uiso c ?
H(12) 0.2878 0.8094 0.6683 0.051 1.000 . Uiso c ?
H(13) 0.3015 0.7118 0.8080 0.049 1.000 . Uiso c ?
H(14) 0.4563 0.6158 0.8445 0.040 1.000 . Uiso c ?
H(15) 0.3338 0.3741 0.6061 0.037 1.000 . Uiso c ?
H(16) 0.1893 0.1254 0.5236 0.046 1.000 . Uiso c ?
H(17) 0.2994 -0.0149 0.5382 0.048 1.000 . Uiso c ?
H(18) 0.5516 0.0899 0.6429 0.043 1.000 . Uiso c ?
H(19) 0.6968 0.3377 0.7291 0.034 1.000 . Uiso c ?
H(20) 0.9818 0.6430 1.0161 0.044 1.000 . Uiso c ?
H(21) 0.9095 0.5402 0.8990 0.044 1.000 . Uiso c ?
H(22) 0.9775 0.7042 0.9205 0.044 1.000 . Uiso c ?
H(23) 0.7952 0.3740 0.9842 0.054 1.000 . Uiso c ?
H(24) 0.6499 0.1304 0.9636 0.072 1.000 . Uiso c ?
H(25) 0.3925 0.0158 0.8931 0.072 1.000 . Uiso c ?
H(26) 0.2750 0.1435 0.8468 0.057 1.000 . Uiso c ?
H(27) 0.4176 0.3873 0.8686 0.043 1.000 . Uiso c ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 54 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 54 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
As 0 2 -0.030 2.007
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F 0 12 0.014 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O 0 2 0.008 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P 0 4 0.090 0.095
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 0 0.050
-1 0 0 0.180
0 1 0 0.100
0 -1 0 0.140
0 0 1 0.080
0 0 -1 0.170
-1 0 1 0.130
1 0 -1 0.110
-1 1 0 0.120
1 -1 0 0.100
1 -1 1 0.080
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P(1) As(1) C(21) 95.59(6) . . . yes
P(1) As(1) C(22) 96.99(5) . . . yes
C(21) As(1) C(22) 100.35(8) . . . yes
As(1) P(1) C(1) 115.54(6) . . . yes
As(1) P(1) C(9) 107.86(6) . . . yes
As(1) P(1) C(15) 109.02(6) . . . yes
C(1) P(1) C(9) 108.50(8) . . . yes
C(1) P(1) C(15) 108.06(8) . . . yes
C(9) P(1) C(15) 107.59(8) . . . yes
F(1) P(2) F(2) 88.7(1) . . . yes
F(1) P(2) F(3) 89.59(9) . . . yes
F(1) P(2) F(4) 178.4(1) . . . yes
F(1) P(2) F(5) 91.26(9) . . . yes
F(1) P(2) F(6) 91.5(1) . . . yes
F(2) P(2) F(3) 90.83(9) . . . yes
F(2) P(2) F(4) 90.16(9) . . . yes
F(2) P(2) F(5) 179.72(9) . . . yes
F(2) P(2) F(6) 88.2(1) . . . yes
F(3) P(2) F(4) 89.29(8) . . . yes
F(3) P(2) F(5) 89.44(8) . . . yes
F(3) P(2) F(6) 178.6(1) . . . yes
F(4) P(2) F(5) 89.90(9) . . . yes
F(4) P(2) F(6) 89.60(9) . . . yes
F(5) P(2) F(6) 91.48(9) . . . yes
C(7) O(1) C(8) 111.5(2) . . . yes
P(1) C(1) C(2) 117.6(1) . . . yes
P(1) C(1) C(6) 123.6(1) . . . yes
C(2) C(1) C(6) 118.8(2) . . . yes
C(1) C(2) C(3) 121.3(2) . . . yes
C(1) C(2) H(1) 119.4 . . . no
C(3) C(2) H(1) 119.4 . . . no
C(2) C(3) C(4) 119.8(2) . . . yes
C(2) C(3) H(2) 120.1 . . . no
C(4) C(3) H(2) 120.1 . . . no
C(3) C(4) C(5) 119.7(2) . . . yes
C(3) C(4) H(3) 120.1 . . . no
C(5) C(4) H(3) 120.1 . . . no
C(4) C(5) C(6) 121.9(2) . . . yes
C(4) C(5) H(4) 119.1 . . . no
C(6) C(5) H(4) 119.0 . . . no
C(1) C(6) C(5) 118.4(2) . . . yes
C(1) C(6) C(7) 124.2(2) . . . yes
C(5) C(6) C(7) 117.2(2) . . . yes
O(1) C(7) C(6) 110.0(2) . . . yes
O(1) C(7) H(5) 109.3 . . . no
O(1) C(7) H(6) 109.3 . . . no
C(6) C(7) H(5) 109.3 . . . no
C(6) C(7) H(6) 109.3 . . . no
H(5) C(7) H(6) 109.5 . . . no
O(1) C(8) H(7) 109.5 . . . no
O(1) C(8) H(8) 109.5 . . . no
O(1) C(8) H(9) 109.5 . . . no
H(7) C(8) H(8) 109.5 . . . no
H(7) C(8) H(9) 109.5 . . . no
H(8) C(8) H(9) 109.5 . . . no
P(1) C(9) C(10) 120.0(1) . . . yes
P(1) C(9) C(14) 120.2(1) . . . yes
C(10) C(9) C(14) 119.8(2) . . . yes
C(9) C(10) C(11) 119.9(2) . . . yes
C(9) C(10) H(10) 120.0 . . . no
C(11) C(10) H(10) 120.0 . . . no
C(10) C(11) C(12) 120.0(2) . . . yes
C(10) C(11) H(11) 120.0 . . . no
C(12) C(11) H(11) 120.0 . . . no
C(11) C(12) C(13) 120.3(2) . . . yes
C(11) C(12) H(12) 119.9 . . . no
C(13) C(12) H(12) 119.9 . . . no
C(12) C(13) C(14) 120.3(2) . . . yes
C(12) C(13) H(13) 119.8 . . . no
C(14) C(13) H(13) 119.8 . . . no
C(9) C(14) C(13) 119.7(2) . . . yes
C(9) C(14) H(14) 120.2 . . . no
C(13) C(14) H(14) 120.2 . . . no
P(1) C(15) C(16) 121.4(1) . . . yes
P(1) C(15) C(20) 118.6(1) . . . yes
C(16) C(15) C(20) 119.8(2) . . . yes
C(15) C(16) C(17) 119.6(2) . . . yes
C(15) C(16) H(15) 120.2 . . . no
C(17) C(16) H(15) 120.2 . . . no
C(16) C(17) C(18) 120.3(2) . . . yes
C(16) C(17) H(16) 119.8 . . . no
C(18) C(17) H(16) 119.8 . . . no
C(17) C(18) C(19) 120.3(2) . . . yes
C(17) C(18) H(17) 119.8 . . . no
C(19) C(18) H(17) 119.8 . . . no
C(18) C(19) C(20) 119.9(2) . . . yes
C(18) C(19) H(18) 120.0 . . . no
C(20) C(19) H(18) 120.0 . . . no
C(15) C(20) C(19) 120.0(2) . . . yes
C(15) C(20) H(19) 120.0 . . . no
C(19) C(20) H(19) 120.0 . . . no
As(1) C(21) H(20) 109.5 . . . no
As(1) C(21) H(21) 109.5 . . . no
As(1) C(21) H(22) 109.5 . . . no
H(20) C(21) H(21) 109.5 . . . no
H(20) C(21) H(22) 109.5 . . . no
H(21) C(21) H(22) 109.5 . . . no
As(1) C(22) C(23) 122.8(2) . . . yes
As(1) C(22) C(27) 117.9(1) . . . yes
C(23) C(22) C(27) 119.3(2) . . . yes
C(22) C(23) C(24) 119.6(2) . . . yes
C(22) C(23) H(23) 120.2 . . . no
C(24) C(23) H(23) 120.2 . . . no
C(23) C(24) C(25) 120.7(2) . . . yes
C(23) C(24) H(24) 119.7 . . . no
C(25) C(24) H(24) 119.7 . . . no
C(24) C(25) C(26) 120.2(2) . . . yes
C(24) C(25) H(25) 119.9 . . . no
C(26) C(25) H(25) 119.9 . . . no
C(25) C(26) C(27) 119.8(2) . . . yes
C(25) C(26) H(26) 120.1 . . . no
C(27) C(26) H(26) 120.1 . . . no
C(22) C(27) C(26) 120.3(2) . . . yes
C(22) C(27) H(27) 119.9 . . . no
C(26) C(27) H(27) 119.9 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
As(1) P(1) 2.3703(5) . . yes
As(1) C(21) 1.956(2) . . yes
As(1) C(22) 1.957(2) . . yes
P(1) C(1) 1.827(2) . . yes
P(1) C(9) 1.808(2) . . yes
P(1) C(15) 1.809(2) . . yes
P(2) F(1) 1.586(1) . . yes
P(2) F(2) 1.589(1) . . yes
P(2) F(3) 1.590(1) . . yes
P(2) F(4) 1.598(1) . . yes
P(2) F(5) 1.573(1) . . yes
P(2) F(6) 1.582(2) . . yes
O(1) C(7) 1.414(2) . . yes
O(1) C(8) 1.423(2) . . yes
C(1) C(2) 1.400(2) . . yes
C(1) C(6) 1.409(2) . . yes
C(2) C(3) 1.382(3) . . yes
C(2) H(1) 0.95 . . no
C(3) C(4) 1.374(3) . . yes
C(3) H(2) 0.95 . . no
C(4) C(5) 1.382(3) . . yes
C(4) H(3) 0.95 . . no
C(5) C(6) 1.390(2) . . yes
C(5) H(4) 0.95 . . no
C(6) C(7) 1.494(3) . . yes
C(7) H(5) 0.95 . . no
C(7) H(6) 0.95 . . no
C(8) H(7) 0.95 . . no
C(8) H(8) 0.95 . . no
C(8) H(9) 0.95 . . no
C(9) C(10) 1.390(2) . . yes
C(9) C(14) 1.391(2) . . yes
C(10) C(11) 1.384(3) . . yes
C(10) H(10) 0.95 . . no
C(11) C(12) 1.383(3) . . yes
C(11) H(11) 0.95 . . no
C(12) C(13) 1.375(3) . . yes
C(12) H(12) 0.95 . . no
C(13) C(14) 1.385(3) . . yes
C(13) H(13) 0.95 . . no
C(14) H(14) 0.95 . . no
C(15) C(16) 1.392(2) . . yes
C(15) C(20) 1.398(2) . . yes
C(16) C(17) 1.387(3) . . yes
C(16) H(15) 0.95 . . no
C(17) C(18) 1.385(3) . . yes
C(17) H(16) 0.95 . . no
C(18) C(19) 1.382(3) . . yes
C(18) H(17) 0.95 . . no
C(19) C(20) 1.386(2) . . yes
C(19) H(18) 0.95 . . no
C(20) H(19) 0.95 . . no
C(21) H(20) 0.95 . . no
C(21) H(21) 0.95 . . no
C(21) H(22) 0.95 . . no
C(22) C(23) 1.383(3) . . yes
C(22) C(27) 1.396(3) . . yes
C(23) C(24) 1.394(3) . . yes
C(23) H(23) 0.95 . . no
C(24) C(25) 1.368(4) . . yes
C(24) H(24) 0.95 . . no
C(25) C(26) 1.377(4) . . yes
C(25) H(25) 0.95 . . no
C(26) C(27) 1.387(3) . . yes
C(26) H(26) 0.95 . . no
C(27) H(27) 0.95 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
As(1) F(1) 3.121(1) . . no
F(1) C(21) 3.377(2) . . no
F(1) C(27) 3.539(2) . 2_667 no
F(1) C(26) 3.555(3) . 2_667 no
F(2) C(7) 3.354(3) . 2_777 no
F(2) C(20) 3.432(2) . 2_767 no
F(2) C(19) 3.467(3) . 2_767 no
F(3) C(7) 3.347(2) . 2_777 no
F(3) C(5) 3.361(2) . 2_777 no
F(3) C(18) 3.436(2) . 1_666 no
F(3) C(17) 3.447(2) . 1_666 no
F(4) C(20) 3.404(2) . 2_767 no
F(4) C(2) 3.415(2) . 2_767 no
F(4) C(4) 3.537(2) . 1_556 no
F(4) C(19) 3.596(2) . 2_767 no
F(4) C(11) 3.597(2) . 1_656 no
F(5) C(13) 3.228(3) . 2_667 no
F(5) C(14) 3.251(2) . 2_667 no
F(5) C(3) 3.276(2) . 1_556 no
F(5) C(4) 3.299(3) . 1_556 no
F(5) C(16) 3.442(2) . 2_667 no
F(6) C(21) 3.382(2) . 2_767 no
F(6) C(2) 3.598(3) . 2_767 no
O(1) C(8) 3.548(3) . 2_777 no
C(2) C(11) 3.593(3) . 2_666 no
As(1) O(1) 2.878(1) . . no
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
As(1) P(1) C(1) C(2) . . . . 114.9(1) no
As(1) P(1) C(1) C(6) . . . . -67.9(2) no
As(1) P(1) C(9) C(10) . . . . 151.1(1) no
As(1) P(1) C(9) C(14) . . . . -29.0(2) no
As(1) P(1) C(15) C(16) . . . . 115.6(1) no
As(1) P(1) C(15) C(20) . . . . -59.7(1) no
As(1) C(22) C(23) C(24) . . . . -178.1(2) no
As(1) C(22) C(27) C(26) . . . . 177.6(1) no
P(1) As(1) C(22) C(23) . . . . 115.5(2) no
P(1) As(1) C(22) C(27) . . . . -65.6(1) no
P(1) C(1) C(2) C(3) . . . . 175.5(2) no
P(1) C(1) C(6) C(5) . . . . -176.2(1) no
P(1) C(1) C(6) C(7) . . . . -1.2(3) no
P(1) C(9) C(10) C(11) . . . . -179.1(2) no
P(1) C(9) C(14) C(13) . . . . -179.7(2) no
P(1) C(15) C(16) C(17) . . . . -176.5(1) no
P(1) C(15) C(20) C(19) . . . . 177.3(1) no
O(1) C(7) C(6) C(1) . . . . 34.4(3) no
O(1) C(7) C(6) C(5) . . . . -150.5(2) no
C(1) P(1) As(1) C(21) . . . . -25.91(9) no
C(1) P(1) As(1) C(22) . . . . -127.09(8) no
C(1) P(1) C(9) C(10) . . . . 25.3(2) no
C(1) P(1) C(9) C(14) . . . . -154.9(1) no
C(1) P(1) C(15) C(16) . . . . -118.1(1) no
C(1) P(1) C(15) C(20) . . . . 66.6(1) no
C(1) C(2) C(3) C(4) . . . . 0.8(3) no
C(1) C(6) C(5) C(4) . . . . 1.0(3) no
C(2) C(1) P(1) C(9) . . . . -123.9(1) no
C(2) C(1) P(1) C(15) . . . . -7.5(2) no
C(2) C(1) C(6) C(5) . . . . 1.0(3) no
C(2) C(1) C(6) C(7) . . . . 176.0(2) no
C(2) C(3) C(4) C(5) . . . . 1.1(3) no
C(3) C(2) C(1) C(6) . . . . -1.9(3) no
C(3) C(4) C(5) C(6) . . . . -2.1(3) no
C(4) C(5) C(6) C(7) . . . . -174.4(2) no
C(6) C(1) P(1) C(9) . . . . 53.4(2) no
C(6) C(1) P(1) C(15) . . . . 169.7(1) no
C(6) C(7) O(1) C(8) . . . . -168.7(2) no
C(9) P(1) As(1) C(21) . . . . -147.48(8) no
C(9) P(1) As(1) C(22) . . . . 111.35(8) no
C(9) P(1) C(15) C(16) . . . . -1.1(2) no
C(9) P(1) C(15) C(20) . . . . -176.5(1) no
C(9) C(10) C(11) C(12) . . . . -0.7(3) no
C(9) C(14) C(13) C(12) . . . . -1.7(3) no
C(10) C(9) P(1) C(15) . . . . -91.4(2) no
C(10) C(9) C(14) C(13) . . . . 0.1(3) no
C(10) C(11) C(12) C(13) . . . . -0.8(3) no
C(11) C(10) C(9) C(14) . . . . 1.0(3) no
C(11) C(12) C(13) C(14) . . . . 2.0(3) no
C(14) C(9) P(1) C(15) . . . . 88.4(2) no
C(15) P(1) As(1) C(21) . . . . 95.97(8) no
C(15) P(1) As(1) C(22) . . . . -5.21(8) no
C(15) C(16) C(17) C(18) . . . . -0.7(3) no
C(15) C(20) C(19) C(18) . . . . -0.8(3) no
C(16) C(15) C(20) C(19) . . . . 2.0(3) no
C(16) C(17) C(18) C(19) . . . . 1.9(3) no
C(17) C(16) C(15) C(20) . . . . -1.2(3) no
C(17) C(18) C(19) C(20) . . . . -1.1(3) no
C(21) As(1) C(22) C(23) . . . . 18.5(2) no
C(21) As(1) C(22) C(27) . . . . -162.6(1) no
C(22) C(23) C(24) C(25) . . . . -0.7(4) no
C(22) C(27) C(26) C(25) . . . . 1.5(3) no
C(23) C(22) C(27) C(26) . . . . -3.5(3) no
C(23) C(24) C(25) C(26) . . . . -1.3(4) no
C(24) C(23) C(22) C(27) . . . . 3.1(3) no
C(24) C(25) C(26) C(27) . . . . 0.9(3) no
