# Supplementary Material (ESI) for Journal of Materials Chemistry
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 1145/198
 
data_MALIK.CIF
 
_audit_creation_method            SHELXL-93
_chemical_name_systematic 
; 
'N-[(2-Triphenylarsoniobenzylidene)]-1-amino-4-methoxybenzene iodide'
; 
_chemical_name_common             ? 
_chemical_formula_moiety          '(C32H27AsNO)+, I(-)'
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C32 H27 As I N O' 
_chemical_formula_weight          643.37 
_chemical_melting_point           186 
_chemical_compound_source         ? 
 
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' 
 'O'  'O'   0.0106   0.0060 
 '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' 
 
_symmetry_cell_setting            Orthorhomboc
_symmetry_space_group_name_H-M    P2(1)2(1)2(1)
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
 
_cell_length_a                    10.337(2) 
_cell_length_b                    15.2970(13) 
_cell_length_c                    17.3890(6) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2749.6(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     250
_cell_measurement_theta_min       1.77
_cell_measurement_theta_max       25.04
 
_exptl_crystal_description        prism
_exptl_crystal_colour             yellow
_exptl_crystal_size_max           0.22
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.10
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.554 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1280 
_exptl_absorpt_coefficient_mu     2.384 
_exptl_absorpt_correction_type    'DIFFABS (Walker & Stuart, 1983)'
_exptl_absorpt_correction_T_min   0.865
_exptl_absorpt_correction_T_max   0.998
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2)
_diffrn_radiation_wavelength      0.71069
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'Rotating anode generator'
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'FAST area detector diffractometer'
_diffrn_measurement_method        'Darr, Drake, Hursthouse & malik, 1993)'
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             10794 
_diffrn_reflns_av_R_equivalents   0.0880 
_diffrn_reflns_av_sigmaI/netI     0.1072 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          1.77 
_diffrn_reflns_theta_max          25.04 
_reflns_number_total              4165 
_reflns_number_observed           3541 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'MADNES (Enraf-Nonius, 1989)'
_computing_cell_refinement        'REFINE in MADNES'
_computing_data_reduction         'ABSMAD (Karaulov, 1991)'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     ORTEP-3
_computing_publication_material   SHELXL-93
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
 are based on F, with F set to zero for negative F^2^. The observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0207P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     'calculated positions (riding model)'
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.04(2) 
_refine_ls_number_reflns          4165 
_refine_ls_number_parameters      326 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0391 
_refine_ls_R_factor_obs           0.0326 
_refine_ls_wR_factor_all          0.0766 
_refine_ls_wR_factor_obs          0.0754 
_refine_ls_goodness_of_fit_all    0.881 
_refine_ls_goodness_of_fit_obs    0.947 
_refine_ls_restrained_S_all       0.881 
_refine_ls_restrained_S_obs       0.947 
_refine_ls_shift/esd_max          0.000 
_refine_ls_shift/esd_mean         0.000 
 
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
I1 I 0.96700(4) 0.01750(3) 0.09252(3) 0.03400(14) Uani 1 d . . 
As1 As 1.44806(6) -0.26200(4) 0.32779(3) 0.0224(2) Uani 1 d . . 
O1 O 1.4410(7) -0.7235(4) 0.4964(4) 0.078(2) Uani 1 d . . 
N1 N 1.5835(4) -0.4174(3) 0.3433(3) 0.0276(14) Uani 1 d . . 
C1 C 1.3599(5) -0.1512(4) 0.3291(4) 0.025(2) Uani 1 d . . 
C2 C 1.2713(6) -0.1281(5) 0.2729(4) 0.030(2) Uani 1 d . . 
H2 H 1.2590(6) -0.1641(5) 0.2304(4) 0.036 Uiso 1 calc R . 
C3 C 1.2017(6) -0.0521(5) 0.2799(4) 0.036(2) Uani 1 d . . 
H3 H 1.1411(6) -0.0366(5) 0.2428(4) 0.043 Uiso 1 calc R . 
C4 C 1.2234(6) 0.0015(5) 0.3436(5) 0.042(2) Uani 1 d . . 
H4 H 1.1744(6) 0.0522(5) 0.3489(5) 0.051 Uiso 1 calc R . 
C5 C 1.3135(6) -0.0176(5) 0.3982(4) 0.033(2) Uani 1 d . . 
H5 H 1.3300(6) 0.0211(5) 0.4383(4) 0.040 Uiso 1 calc R . 
C6 C 1.3802(5) -0.0963(4) 0.3926(4) 0.028(2) Uani 1 d . . 
H6 H 1.4381(5) -0.1125(4) 0.4309(4) 0.033 Uiso 1 calc R . 
C7 C 1.4370(5) -0.3011(4) 0.4314(3) 0.0214(15) Uani 1 d . . 
C8 C 1.3237(6) -0.3371(4) 0.4602(4) 0.027(2) Uani 1 d . . 
H8 H 1.2504(6) -0.3386(4) 0.4292(4) 0.033 Uiso 1 calc R . 
C9 C 1.3176(7) -0.3702(5) 0.5326(4) 0.037(2) Uani 1 d . . 
H9 H 1.2407(7) -0.3941(5) 0.5507(4) 0.044 Uiso 1 calc R . 
C10 C 1.4260(6) -0.3683(4) 0.5793(4) 0.034(2) Uani 1 d . . 
H10 H 1.4239(6) -0.3942(4) 0.6276(4) 0.041 Uiso 1 calc R . 
C11 C 1.5400(8) -0.3266(5) 0.5531(4) 0.041(2) Uani 1 d . . 
H11 H 1.6114(8) -0.3212(5) 0.5853(4) 0.049 Uiso 1 calc R . 
C12 C 1.5437(7) -0.2942(4) 0.4795(4) 0.031(2) Uani 1 d . . 
H12 H 1.6186(7) -0.2673(4) 0.4617(4) 0.037 Uiso 1 calc R . 
C13 C 1.3617(6) -0.3297(4) 0.2499(4) 0.027(2) Uani 1 d . . 
C14 C 1.4293(6) -0.3565(5) 0.1874(4) 0.039(2) Uani 1 d . . 
H14 H 1.5176(6) -0.3453(5) 0.1840(4) 0.047 Uiso 1 calc R . 
C15 C 1.3666(7) -0.4007(6) 0.1286(5) 0.054(2) Uani 1 d . . 
H15 H 1.4126(7) -0.4184(6) 0.0854(5) 0.065 Uiso 1 calc R . 
C16 C 1.2348(7) -0.4185(5) 0.1341(5) 0.046(2) Uani 1 d . . 
H16 H 1.1921(7) -0.4473(5) 0.0944(5) 0.055 Uiso 1 calc R . 
C17 C 1.1688(7) -0.3931(5) 0.1989(4) 0.039(2) Uani 1 d . . 
H17 H 1.0813(7) -0.4060(5) 0.2038(4) 0.047 Uiso 1 calc R . 
C18 C 1.2297(6) -0.3496(5) 0.2553(4) 0.037(2) Uani 1 d . . 
H18 H 1.1836(6) -0.3325(5) 0.2987(4) 0.044 Uiso 1 calc R . 
C19 C 1.6229(6) -0.2400(5) 0.2950(4) 0.027(2) Uani 1 d . . 
C20 C 1.6488(6) -0.1584(5) 0.2647(4) 0.034(2) Uani 1 d . . 
H20 H 1.5841(6) -0.1162(5) 0.2626(4) 0.041 Uiso 1 calc R . 
C21 C 1.7735(7) -0.1395(6) 0.2370(4) 0.041(2) Uani 1 d . . 
H21 H 1.7914(7) -0.0852(6) 0.2154(4) 0.049 Uiso 1 calc R . 
C22 C 1.8693(7) -0.2023(5) 0.2423(4) 0.041(2) Uani 1 d . . 
H22 H 1.9523(7) -0.1898(5) 0.2248(4) 0.050 Uiso 1 calc R . 
C23 C 1.8435(6) -0.2803(5) 0.2721(4) 0.039(2) Uani 1 d . . 
H23 H 1.9100(6) -0.3212(5) 0.2749(4) 0.047 Uiso 1 calc R . 
C24 C 1.7192(6) -0.3046(5) 0.3000(4) 0.030(2) Uani 1 d . . 
C25 C 1.6987(7) -0.3893(4) 0.3337(4) 0.032(2) Uani 1 d . . 
H25 H 1.7689(7) -0.4235(4) 0.3483(4) 0.038 Uiso 1 calc R . 
C26 C 1.5602(5) -0.4979(4) 0.3820(4) 0.028(2) Uani 1 d . . 
C27 C 1.6517(7) -0.5519(5) 0.4164(5) 0.043(2) Uani 1 d . . 
H27 H 1.7386(7) -0.5366(5) 0.4130(5) 0.052 Uiso 1 calc R . 
C28 C 1.6192(8) -0.6264(5) 0.4548(4) 0.046(2) Uani 1 d . . 
H28 H 1.6830(8) -0.6606(5) 0.4775(4) 0.056 Uiso 1 calc R . 
C29 C 1.4918(9) -0.6505(5) 0.4598(4) 0.044(2) Uani 1 d . . 
C30 C 1.3945(7) -0.5990(5) 0.4278(4) 0.048(2) Uani 1 d . . 
H30 H 1.3080(7) -0.6145(5) 0.4331(4) 0.057 Uiso 1 calc R . 
C31 C 1.4296(6) -0.5241(5) 0.3879(4) 0.037(2) Uani 1 d . . 
H31 H 1.3657(6) -0.4905(5) 0.3645(4) 0.045 Uiso 1 calc R . 
C32 C 1.5253(11) -0.7666(6) 0.5420(6) 0.095(3) Uani 1 d . . 
H32A H 1.5882(43) -0.7960(40) 0.5107(6) 0.143 Uiso 1 calc R . 
H32B H 1.4793(14) -0.8087(34) 0.5725(31) 0.143 Uiso 1 calc R . 
H32C H 1.5682(54) -0.7257(9) 0.5752(30) 0.143 Uiso 1 calc R . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
I1 0.0251(2) 0.0398(3) 0.0370(3) 0.0026(2) 0.0021(2) -0.0005(2) 
As1 0.0217(3) 0.0265(4) 0.0189(4) 0.0009(3) 0.0009(3) -0.0018(3) 
O1 0.133(6) 0.049(4) 0.051(4) 0.010(3) -0.012(4) -0.001(4) 
N1 0.021(3) 0.031(3) 0.030(4) 0.002(3) 0.003(2) -0.000(2) 
C1 0.023(3) 0.030(4) 0.023(4) 0.006(3) -0.001(3) -0.003(3) 
C2 0.043(4) 0.036(5) 0.011(4) 0.004(3) -0.006(3) -0.005(4) 
C3 0.037(4) 0.031(5) 0.040(5) 0.014(4) -0.006(3) 0.006(3) 
C4 0.037(4) 0.024(5) 0.066(6) 0.010(4) 0.011(4) 0.006(3) 
C5 0.038(4) 0.029(4) 0.033(4) 0.001(4) -0.005(3) 0.002(3) 
C6 0.022(3) 0.031(4) 0.031(5) 0.002(3) -0.004(3) -0.000(3) 
C7 0.020(4) 0.024(4) 0.020(4) -0.002(3) 0.002(3) -0.000(3) 
C8 0.025(4) 0.030(4) 0.027(4) 0.010(3) -0.000(3) 0.005(3) 
C9 0.029(4) 0.037(5) 0.044(5) 0.008(4) 0.001(3) 0.004(3) 
C10 0.054(5) 0.038(4) 0.011(4) 0.008(3) 0.008(3) 0.003(3) 
C11 0.042(4) 0.048(5) 0.032(4) -0.005(4) -0.006(4) -0.010(4) 
C12 0.031(4) 0.040(4) 0.022(4) 0.004(3) -0.003(3) -0.008(4) 
C13 0.033(4) 0.030(4) 0.017(4) 0.001(3) 0.002(3) -0.003(3) 
C14 0.035(4) 0.057(5) 0.025(4) -0.011(4) 0.003(3) -0.002(3) 
C15 0.046(5) 0.083(7) 0.033(5) -0.015(5) 0.005(4) 0.002(4) 
C16 0.063(6) 0.032(5) 0.043(6) 0.005(4) -0.014(4) -0.006(4) 
C17 0.038(4) 0.049(6) 0.030(5) -0.009(4) -0.002(3) -0.014(3) 
C18 0.031(4) 0.049(5) 0.030(5) -0.008(4) 0.002(3) -0.007(3) 
C19 0.028(4) 0.033(4) 0.019(4) 0.003(3) 0.005(3) -0.010(3) 
C20 0.025(4) 0.051(5) 0.027(5) 0.013(4) -0.002(3) -0.004(3) 
C21 0.054(5) 0.047(5) 0.020(5) 0.005(4) 0.005(4) -0.021(4) 
C22 0.026(4) 0.055(6) 0.042(5) 0.007(4) 0.014(4) -0.011(4) 
C23 0.027(4) 0.041(5) 0.049(5) -0.003(4) 0.010(3) 0.002(3) 
C24 0.019(4) 0.032(4) 0.039(5) -0.010(4) 0.002(3) -0.002(3) 
C25 0.034(4) 0.028(4) 0.034(5) 0.003(4) 0.004(3) 0.009(3) 
C26 0.029(4) 0.025(4) 0.030(4) -0.003(3) 0.001(3) 0.000(3) 
C27 0.037(4) 0.051(5) 0.042(5) -0.007(4) -0.010(4) -0.008(4) 
C28 0.057(6) 0.042(6) 0.040(5) 0.016(4) -0.008(4) 0.000(4) 
C29 0.090(7) 0.019(4) 0.024(4) 0.005(3) 0.001(4) -0.008(4) 
C30 0.049(5) 0.052(6) 0.042(6) -0.012(4) 0.012(4) -0.021(4) 
C31 0.042(4) 0.019(4) 0.051(5) -0.006(4) 0.011(3) -0.009(3) 
C32 0.135(9) 0.044(6) 0.106(9) 0.004(6) -0.019(8) -0.012(7) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
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 
As1 C7 1.902(6) . ? 
As1 C1 1.924(7) . ? 
As1 C19 1.925(6) . ? 
As1 C13 1.925(7) . ?
As1 N1 2.772(7) . ?
O1 C32 1.349(11) . ? 
O1 C29 1.390(9) . ? 
N1 C25 1.276(7) . ? 
N1 C26 1.423(8) . ? 
C1 C2 1.386(9) . ? 
C1 C6 1.402(9) . ? 
C2 C3 1.372(9) . ? 
C3 C4 1.397(10) . ? 
C4 C5 1.362(9) . ? 
C5 C6 1.391(9) . ? 
C7 C8 1.388(8) . ? 
C7 C12 1.389(9) . ? 
C8 C9 1.358(9) . ? 
C9 C10 1.384(9) . ? 
C10 C11 1.415(10) . ? 
C11 C12 1.372(9) . ? 
C13 C14 1.356(9) . ? 
C13 C18 1.401(9) . ? 
C14 C15 1.386(10) . ? 
C15 C16 1.393(10) . ? 
C16 C17 1.374(10) . ? 
C17 C18 1.341(10) . ? 
C19 C20 1.382(10) . ? 
C19 C24 1.405(9) . ? 
C20 C21 1.406(9) . ? 
C21 C22 1.382(10) . ? 
C22 C23 1.329(10) . ? 
C23 C24 1.423(9) . ? 
C24 C25 1.438(9) . ? 
C26 C27 1.391(9) . ? 
C26 C31 1.413(9) . ? 
C27 C28 1.363(10) . ? 
C28 C29 1.370(10) . ? 
C29 C30 1.392(11) . ? 
C30 C31 1.388(10) . ? 
 
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 
C7 As1 C1 103.7(3) . . ? 
C7 As1 C19 113.1(3) . . ? 
C1 As1 C19 107.1(3) . . ? 
C7 As1 C13 118.0(3) . . ? 
C1 As1 C13 105.2(3) . . ? 
C19 As1 C13 108.7(3) . . ?
N1 As1 C1 173.4(4) . . ?
N1 As1 C7 70.6(4) . . ?
N1 As1 C13 80.9(4) . . ?
N1 As1 C19 72.8(4) . . ?
C32 O1 C29 114.7(8) . . ? 
C25 N1 C26 120.7(5) . . ? 
C2 C1 C6 120.0(6) . . ? 
C2 C1 As1 122.0(5) . . ? 
C6 C1 As1 117.8(5) . . ? 
C3 C2 C1 120.1(7) . . ? 
C2 C3 C4 118.9(6) . . ? 
C5 C4 C3 122.4(6) . . ? 
C4 C5 C6 118.4(7) . . ? 
C5 C6 C1 120.0(6) . . ? 
C8 C7 C12 118.9(6) . . ? 
C8 C7 As1 121.1(4) . . ? 
C12 C7 As1 120.0(4) . . ? 
C9 C8 C7 121.4(6) . . ? 
C8 C9 C10 119.9(7) . . ? 
C9 C10 C11 119.7(6) . . ? 
C12 C11 C10 119.1(7) . . ? 
C11 C12 C7 120.8(7) . . ? 
C14 C13 C18 119.4(6) . . ? 
C14 C13 As1 119.2(5) . . ? 
C18 C13 As1 121.4(5) . . ? 
C13 C14 C15 119.8(7) . . ? 
C14 C15 C16 120.2(7) . . ? 
C17 C16 C15 119.1(7) . . ? 
C18 C17 C16 120.5(7) . . ? 
C17 C18 C13 121.0(7) . . ? 
C20 C19 C24 121.4(6) . . ? 
C20 C19 As1 117.0(5) . . ? 
C24 C19 As1 121.6(5) . . ? 
C19 C20 C21 119.6(7) . . ? 
C22 C21 C20 119.4(7) . . ? 
C23 C22 C21 120.4(6) . . ? 
C22 C23 C24 123.3(7) . . ? 
C19 C24 C23 115.8(6) . . ? 
C19 C24 C25 123.7(6) . . ? 
C23 C24 C25 120.4(6) . . ? 
N1 C25 C24 119.6(6) . . ? 
C27 C26 C31 116.7(6) . . ? 
C27 C26 N1 127.0(5) . . ? 
C31 C26 N1 116.2(6) . . ? 
C28 C27 C26 122.7(7) . . ? 
C27 C28 C29 119.5(7) . . ? 
C28 C29 O1 127.4(7) . . ? 
C28 C29 C30 121.2(7) . . ? 
O1 C29 C30 111.4(8) . . ? 
C31 C30 C29 118.5(7) . . ? 
C30 C31 C26 121.4(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_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
 C7 As1 C1 C2 -135.1(5) . . . . ? 
 C19 As1 C1 C2 105.1(5) . . . . ? 
 C13 As1 C1 C2 -10.5(6) . . . . ? 
 C7 As1 C1 C6 40.0(5) . . . . ? 
 C19 As1 C1 C6 -79.9(5) . . . . ? 
 C13 As1 C1 C6 164.5(5) . . . . ? 
 C6 C1 C2 C3 -1.1(10) . . . . ? 
 As1 C1 C2 C3 173.9(5) . . . . ? 
 C1 C2 C3 C4 1.0(10) . . . . ? 
 C2 C3 C4 C5 1.7(10) . . . . ? 
 C3 C4 C5 C6 -4.2(10) . . . . ? 
 C4 C5 C6 C1 4.1(9) . . . . ? 
 C2 C1 C6 C5 -1.5(9) . . . . ? 
 As1 C1 C6 C5 -176.6(5) . . . . ? 
 C1 As1 C7 C8 77.7(6) . . . . ? 
 C19 As1 C7 C8 -166.6(5) . . . . ? 
 C13 As1 C7 C8 -38.2(6) . . . . ? 
 C1 As1 C7 C12 -102.6(5) . . . . ? 
 C19 As1 C7 C12 13.1(6) . . . . ? 
 C13 As1 C7 C12 141.6(5) . . . . ? 
 C12 C7 C8 C9 -3.9(10) . . . . ? 
 As1 C7 C8 C9 175.8(5) . . . . ? 
 C7 C8 C9 C10 0.1(11) . . . . ? 
 C8 C9 C10 C11 4.2(11) . . . . ? 
 C9 C10 C11 C12 -4.6(10) . . . . ? 
 C10 C11 C12 C7 0.7(11) . . . . ? 
 C8 C7 C12 C11 3.5(10) . . . . ? 
 As1 C7 C12 C11 -176.3(5) . . . . ? 
 C7 As1 C13 C14 -127.2(6) . . . . ? 
 C1 As1 C13 C14 117.7(6) . . . . ? 
 C19 As1 C13 C14 3.3(7) . . . . ? 
 C7 As1 C13 C18 54.7(7) . . . . ? 
 C1 As1 C13 C18 -60.3(6) . . . . ? 
 C19 As1 C13 C18 -174.8(6) . . . . ? 
 C18 C13 C14 C15 2.1(12) . . . . ? 
 As1 C13 C14 C15 -176.0(6) . . . . ? 
 C13 C14 C15 C16 -0.8(13) . . . . ? 
 C14 C15 C16 C17 -1.1(12) . . . . ? 
 C15 C16 C17 C18 1.7(12) . . . . ? 
 C16 C17 C18 C13 -0.4(12) . . . . ? 
 C14 C13 C18 C17 -1.5(12) . . . . ? 
 As1 C13 C18 C17 176.6(6) . . . . ? 
 C7 As1 C19 C20 -125.8(5) . . . . ? 
 C1 As1 C19 C20 -12.1(6) . . . . ? 
 C13 As1 C19 C20 101.1(6) . . . . ? 
 C7 As1 C19 C24 55.5(6) . . . . ? 
 C1 As1 C19 C24 169.2(5) . . . . ? 
 C13 As1 C19 C24 -77.6(6) . . . . ? 
 C24 C19 C20 C21 1.0(11) . . . . ? 
 As1 C19 C20 C21 -177.6(5) . . . . ? 
 C19 C20 C21 C22 -1.5(11) . . . . ? 
 C20 C21 C22 C23 1.0(12) . . . . ? 
 C21 C22 C23 C24 0.0(12) . . . . ? 
 C20 C19 C24 C23 -0.0(10) . . . . ? 
 As1 C19 C24 C23 178.6(5) . . . . ? 
 C20 C19 C24 C25 177.6(7) . . . . ? 
 As1 C19 C24 C25 -3.8(10) . . . . ? 
 C22 C23 C24 C19 -0.5(11) . . . . ? 
 C22 C23 C24 C25 -178.2(7) . . . . ? 
 C26 N1 C25 C24 -174.9(6) . . . . ? 
 C19 C24 C25 N1 17.5(11) . . . . ? 
 C23 C24 C25 N1 -165.0(7) . . . . ? 
 C25 N1 C26 C27 3.5(10) . . . . ? 
 C25 N1 C26 C31 -178.5(6) . . . . ? 
 C31 C26 C27 C28 -0.6(11) . . . . ? 
 N1 C26 C27 C28 177.4(7) . . . . ? 
 C26 C27 C28 C29 0.6(13) . . . . ? 
 C27 C28 C29 O1 -179.9(7) . . . . ? 
 C27 C28 C29 C30 -1.6(13) . . . . ? 
 C32 O1 C29 C28 11.5(12) . . . . ? 
 C32 O1 C29 C30 -166.9(8) . . . . ? 
 C28 C29 C30 C31 2.6(12) . . . . ? 
 O1 C29 C30 C31 -178.9(6) . . . . ? 
 C29 C30 C31 C26 -2.6(11) . . . . ? 
 C27 C26 C31 C30 1.6(10) . . . . ? 
 N1 C26 C31 C30 -176.6(6) . . . . ? 
 
_refine_diff_density_max    0.469 
_refine_diff_density_min   -0.503 
_refine_diff_density_rms    0.109