Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2007

data_global

_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222

_publ_contact_author             'Klaus Harms'
_publ_contact_author_email       harms@chemie.uni-marburg.de

loop_
_publ_author_name

'Elschenbroich, Christoph'
'Six, J\"org'
'Harms, Klaus'
_journal_volume                  ?
_journal_page_first              ?
_journal_page_last               ?
_journal_year                    ?
_ccdc_journal_depnumber          ?

data_six05
_database_code_depnum_ccdc_archive 'CCDC 657175'

_audit_creation_date             2007-08-13T15:58:43-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
# CHEMICAL INFORMATION #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
?
;
_chemical_formula_sum            'C30 H30 As6 W'
_chemical_formula_weight         1023.91

#----------------------------------------------------------------------------#
# UNIT CELL INFORMATION #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9365(8)
_cell_length_b                   11.0078(11)
_cell_length_c                   16.0422(16)
_cell_angle_alpha                84.106(12)
_cell_angle_beta                 89.058(12)
_cell_angle_gamma                85.213(12)
_cell_volume                     1564.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    1473
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      25.9

#----------------------------------------------------------------------------#
# CRYSTAL INFORMATION #
#----------------------------------------------------------------------------#

_exptl_crystal_description       Prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    2.174
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             964
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
# ABSORPTION CORRECTION #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    10.009
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.1419
_exptl_absorpt_correction_T_max  0.2394

#----------------------------------------------------------------------------#
# DATA COLLECTION #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_number            15332
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.93
_diffrn_reflns_theta_full        25.93
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_reflns_number_total             5645
_reflns_number_gt                4381
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
# COMPUTER PROGRAMS USED #
#----------------------------------------------------------------------------#

_computing_data_collection       'Stoe Expose'
_computing_cell_refinement       'Stoe Cell'
_computing_data_reduction        'Stoe Integrate'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND 3.1'
_computing_publication_material  'Siemens SHELXTL'

#----------------------------------------------------------------------------#
# REFINEMENT INFORMATION #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness 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 threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) 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
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0427P)^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    noref
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5645
_refine_ls_number_parameters     337
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0713
_refine_ls_wR_factor_gt          0.0676
_refine_ls_goodness_of_fit_ref   0.925
_refine_ls_restrained_S_all      0.925
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.299
_refine_diff_density_min         -1.324
_refine_diff_density_rms         0.163

#----------------------------------------------------------------------------#
# ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS #
#----------------------------------------------------------------------------#

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 0 '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'
W W -0.849 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
W1 W 1 1 1 0.02189(9) Uani 1 2 d S . .
As1 As 1.10620(6) 0.78968(5) 1.04561(4) 0.02372(14) Uani 1 1 d . . .
C2 C 1.2033(7) 0.7292(6) 1.1433(4) 0.0335(15) Uani 1 1 d . . .
H2A H 1.2121 0.7832 1.1852 0.04 Uiso 1 1 calc R . .
W2 W 1 0.5 0.5 0.02250(9) Uani 1 2 d S . .
C3 C 1.2638(8) 0.6104(6) 1.1590(4) 0.0360(15) Uani 1 1 d . . .
H3A H 1.3145 0.5889 1.2107 0.043 Uiso 1 1 calc R . .
C4 C 1.2574(7) 0.5190(6) 1.1061(4) 0.0353(15) Uani 1 1 d . . .
H4A H 1.3031 0.4397 1.1237 0.042 Uiso 1 1 calc R . .
C5 C 1.1875(8) 0.5376(6) 1.0289(4) 0.0377(16) Uani 1 1 d . . .
H5A H 1.188 0.4692 0.9973 0.045 Uiso 1 1 calc R . .
C6 C 1.1169(7) 0.6473(5) 0.9939(4) 0.0312(14) Uani 1 1 d . . .
H6A H 1.0718 0.6493 0.9405 0.037 Uiso 1 1 calc R . .
As7 As 1.24078(6) 1.08197(5) 1.03208(4) 0.02462(14) Uani 1 1 d . . .
C8 C 1.3347(7) 1.2130(6) 0.9816(5) 0.0412(17) Uani 1 1 d . . .
H8A H 1.2935 1.2559 0.9317 0.049 Uiso 1 1 calc R . .
C9 C 1.4654(7) 1.2516(6) 1.0145(5) 0.0421(18) Uani 1 1 d . . .
H9A H 1.505 1.322 0.9859 0.05 Uiso 1 1 calc R . .
C10 C 1.5403(7) 1.1977(6) 1.0832(5) 0.0395(17) Uani 1 1 d . . .
H10A H 1.6279 1.233 1.0988 0.047 Uiso 1 1 calc R . .
C11 C 1.4980(7) 1.0941(7) 1.1327(4) 0.0425(17) Uani 1 1 d . . .
H11A H 1.5597 1.0618 1.1788 0.051 Uiso 1 1 calc R . .
C12 C 1.3689(7) 1.0351(6) 1.1179(4) 0.0407(17) Uani 1 1 d . . .
H12A H 1.3474 0.9661 1.1553 0.049 Uiso 1 1 calc R . .
As13 As 1.07836(6) 0.98482(5) 0.85235(4) 0.02569(14) Uani 1 1 d . . .
C14 C 1.0778(9) 0.8632(6) 0.7826(4) 0.0440(18) Uani 1 1 d . . .
H14A H 1.0397 0.7881 0.8041 0.053 Uiso 1 1 calc R . .
C15 C 1.1292(9) 0.8740(7) 0.7007(5) 0.053(2) Uani 1 1 d . . .
H15A H 1.125 0.8052 0.6698 0.063 Uiso 1 1 calc R . .
C16 C 1.1854(8) 0.9757(7) 0.6612(5) 0.0481(19) Uani 1 1 d . . .
H16A H 1.2204 0.972 0.6052 0.058 Uiso 1 1 calc R . .
C17 C 1.1955(8) 1.0843(7) 0.6964(5) 0.050(2) Uani 1 1 d . . .
H17A H 1.2316 1.1513 0.662 0.059 Uiso 1 1 calc R . .
C18 C 1.1568(8) 1.1018(6) 0.7780(4) 0.0430(18) Uani 1 1 d . . .
H18A H 1.1714 1.1789 0.7969 0.052 Uiso 1 1 calc R . .
As19 As 1.15212(6) 0.66434(5) 0.43678(4) 0.02591(14) Uani 1 1 d . . .
C20 C 1.1232(8) 0.8318(6) 0.4326(5) 0.0475(19) Uani 1 1 d . . .
H20A H 1.0385 0.8671 0.4607 0.057 Uiso 1 1 calc R . .
C21 C 1.2206(9) 0.9091(7) 0.3899(5) 0.058(2) Uani 1 1 d . . .
H21A H 1.1972 0.9948 0.3906 0.07 Uiso 1 1 calc R . .
C22 C 1.3472(8) 0.8723(7) 0.3470(5) 0.0475(19) Uani 1 1 d . . .
H22A H 1.404 0.934 0.3196 0.057 Uiso 1 1 calc R . .
C23 C 1.3978(8) 0.7520(7) 0.3411(4) 0.0442(19) Uani 1 1 d . . .
H23A H 1.4875 0.7368 0.3099 0.053 Uiso 1 1 calc R . .
C24 C 1.3282(7) 0.6513(6) 0.3768(4) 0.0345(15) Uani 1 1 d . . .
H24A H 1.3737 0.5718 0.37 0.041 Uiso 1 1 calc R . .
As25 As 1.14637(6) 0.48969(5) 0.63014(3) 0.02268(13) Uani 1 1 d . . .
C26 C 1.0904(7) 0.4366(6) 0.7380(4) 0.0396(17) Uani 1 1 d . . .
H26A H 1.0006 0.3961 0.7459 0.047 Uiso 1 1 calc R . .
C27 C 1.1704(8) 0.4522(6) 0.8067(4) 0.0417(17) Uani 1 1 d . . .
H27A H 1.1305 0.4236 0.8597 0.05 Uiso 1 1 calc R . .
C28 C 1.3049(8) 0.5061(6) 0.8065(4) 0.0410(17) Uani 1 1 d . . .
H28A H 1.3521 0.5107 0.8586 0.049 Uiso 1 1 calc R . .
C29 C 1.3742(8) 0.5538(6) 0.7333(5) 0.0428(18) Uani 1 1 d . . .
H29A H 1.4658 0.5899 0.7394 0.051 Uiso 1 1 calc R . .
C30 C 1.3226(7) 0.5536(6) 0.6536(4) 0.0331(15) Uani 1 1 d . . .
H30A H 1.3805 0.5879 0.6083 0.04 Uiso 1 1 calc R . .
As31 As 0.81724(6) 0.64880(5) 0.55980(4) 0.02580(14) Uani 1 1 d . . .
C32 C 0.7983(7) 0.6914(6) 0.6668(4) 0.0350(15) Uani 1 1 d . . .
H32A H 0.8735 0.6595 0.7061 0.042 Uiso 1 1 calc R . .
C33 C 0.6813(8) 0.7669(6) 0.6933(5) 0.0435(18) Uani 1 1 d . . .
H33A H 0.6825 0.7847 0.75 0.052 Uiso 1 1 calc R . .
C34 C 0.5622(8) 0.8190(6) 0.6452(5) 0.0416(18) Uani 1 1 d . . .
H34A H 0.486 0.868 0.671 0.05 Uiso 1 1 calc R . .
C35 C 0.5471(7) 0.8038(6) 0.5604(5) 0.0444(18) Uani 1 1 d . . .
H35A H 0.4617 0.8444 0.532 0.053 Uiso 1 1 calc R . .
C36 C 0.6468(7) 0.7346(6) 0.5153(5) 0.0414(17) Uani 1 1 d . . .
H36A H 0.6267 0.7307 0.4578 0.05 Uiso 1 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
W1 0.01817(16) 0.02597(16) 0.02191(18) -0.00333(13) -0.00646(14) -0.00181(12)
As1 0.0222(3) 0.0261(3) 0.0231(3) -0.0027(2) -0.0069(3) -0.0014(2)
C2 0.037(3) 0.039(3) 0.025(3) -0.004(3) -0.007(3) -0.006(3)
W2 0.02206(17) 0.02849(17) 0.01639(17) 0.00030(13) -0.00698(14) -0.00067(13)
C3 0.044(4) 0.036(3) 0.026(3) 0.001(3) -0.016(3) 0.006(3)
C4 0.045(4) 0.033(3) 0.027(4) -0.001(3) -0.005(3) 0.002(3)
C5 0.051(4) 0.026(3) 0.038(4) -0.009(3) -0.004(3) -0.006(3)
C6 0.046(4) 0.027(3) 0.022(3) -0.007(2) -0.015(3) -0.003(3)
As7 0.0190(3) 0.0303(3) 0.0254(3) -0.0046(2) -0.0068(3) -0.0032(2)
C8 0.035(4) 0.039(4) 0.049(4) 0.006(3) -0.016(3) -0.008(3)
C9 0.029(3) 0.034(3) 0.064(5) 0.000(3) -0.005(4) -0.007(3)
C10 0.017(3) 0.051(4) 0.055(5) -0.023(3) -0.001(3) -0.006(3)
C11 0.028(3) 0.066(5) 0.035(4) -0.005(3) -0.014(3) -0.009(3)
C12 0.035(4) 0.055(4) 0.033(4) 0.004(3) -0.011(3) -0.014(3)
As13 0.0220(3) 0.0319(3) 0.0234(3) -0.0045(2) -0.0051(3) -0.0003(2)
C14 0.067(5) 0.035(4) 0.032(4) -0.014(3) -0.008(4) -0.002(3)
C15 0.061(5) 0.061(5) 0.035(4) -0.015(4) -0.014(4) 0.012(4)
C16 0.044(4) 0.072(5) 0.027(4) -0.009(4) 0.001(3) 0.012(4)
C17 0.043(4) 0.070(5) 0.031(4) 0.012(4) 0.000(3) -0.002(4)
C18 0.051(4) 0.044(4) 0.037(4) -0.005(3) -0.002(4) -0.017(3)
As19 0.0260(3) 0.0316(3) 0.0197(3) 0.0026(2) -0.0095(3) -0.0040(2)
C20 0.044(4) 0.041(4) 0.056(5) 0.009(3) -0.006(4) -0.006(3)
C21 0.067(5) 0.035(4) 0.071(6) 0.014(4) -0.015(5) -0.011(4)
C22 0.053(4) 0.051(4) 0.038(4) 0.012(3) -0.009(4) -0.022(4)
C23 0.038(4) 0.073(5) 0.023(3) -0.001(3) 0.000(3) -0.018(4)
C24 0.035(3) 0.042(4) 0.028(3) -0.003(3) -0.003(3) -0.010(3)
As25 0.0221(3) 0.0283(3) 0.0171(3) 0.0007(2) -0.0073(2) -0.0011(2)
C26 0.037(4) 0.050(4) 0.032(4) 0.011(3) -0.006(3) -0.018(3)
C27 0.046(4) 0.057(4) 0.020(3) 0.010(3) -0.013(3) -0.005(3)
C28 0.045(4) 0.053(4) 0.025(4) 0.000(3) -0.019(3) -0.006(3)
C29 0.037(4) 0.047(4) 0.045(4) 0.004(3) -0.018(3) -0.015(3)
C30 0.026(3) 0.044(4) 0.030(4) -0.001(3) -0.007(3) -0.007(3)
As31 0.0235(3) 0.0294(3) 0.0240(3) -0.0018(2) -0.0049(3) 0.0002(2)
C32 0.033(3) 0.038(3) 0.034(4) -0.012(3) -0.013(3) 0.008(3)
C33 0.046(4) 0.043(4) 0.045(4) -0.016(3) 0.001(4) -0.005(3)
C34 0.033(4) 0.032(3) 0.061(5) -0.015(3) 0.007(4) 0.001(3)
C35 0.026(3) 0.043(4) 0.063(5) -0.004(4) -0.007(4) 0.005(3)
C36 0.035(4) 0.053(4) 0.034(4) 0.000(3) -0.014(3) 0.006(3)

#----------------------------------------------------------------------------#
# MOLECULAR GEOMETRY #
#----------------------------------------------------------------------------#

_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
W1 As1 2.4707(7) . ?
W1 As1 2.4707(7) 2_777 ?
W1 As13 2.4771(6) . ?
W1 As13 2.4771(6) 2_777 ?
W1 As7 2.4829(6) 2_777 ?
W1 As7 2.4829(6) . ?
As1 C2 1.840(7) . ?
As1 C6 1.842(6) . ?
C2 C3 1.373(9) . ?
C2 H2A 0.95 . ?
W2 As31 2.4689(7) 2_766 ?
W2 As31 2.4690(7) . ?
W2 As25 2.4696(7) . ?
W2 As25 2.4697(7) 2_766 ?
W2 As19 2.4774(6) 2_766 ?
W2 As19 2.4774(6) . ?
C3 C4 1.387(9) . ?
C3 H3A 0.95 . ?
C4 C5 1.385(10) . ?
C4 H4A 0.95 . ?
C5 C6 1.385(9) . ?
C5 H5A 0.95 . ?
C6 H6A 0.95 . ?
As7 C12 1.811(7) . ?
As7 C8 1.838(6) . ?
C8 C9 1.404(10) . ?
C8 H8A 0.95 . ?
C9 C10 1.356(10) . ?
C9 H9A 0.95 . ?
C10 C11 1.397(9) . ?
C10 H10A 0.95 . ?
C11 C12 1.405(9) . ?
C11 H11A 0.95 . ?
C12 H12A 0.95 . ?
As13 C14 1.831(7) . ?
As13 C18 1.839(6) . ?
C14 C15 1.382(10) . ?
C14 H14A 0.95 . ?
C15 C16 1.359(10) . ?
C15 H15A 0.95 . ?
C16 C17 1.384(11) . ?
C16 H16A 0.95 . ?
C17 C18 1.376(10) . ?
C17 H17A 0.95 . ?
C18 H18A 0.95 . ?
As19 C24 1.833(6) . ?
As19 C20 1.835(7) . ?
C20 C21 1.391(9) . ?
C20 H20A 0.95 . ?
C21 C22 1.369(11) . ?
C21 H21A 0.95 . ?
C22 C23 1.376(11) . ?
C22 H22A 0.95 . ?
C23 C24 1.384(8) . ?
C23 H23A 0.95 . ?
C24 H24A 0.95 . ?
As25 C30 1.837(6) . ?
As25 C26 1.843(6) . ?
C26 C27 1.358(10) . ?
C26 H26A 0.95 . ?
C27 C28 1.383(9) . ?
C27 H27A 0.95 . ?
C28 C29 1.394(9) . ?
C28 H28A 0.95 . ?
C29 C30 1.367(9) . ?
C29 H29A 0.95 . ?
C30 H30A 0.95 . ?
As31 C32 1.826(7) . ?
As31 C36 1.838(7) . ?
C32 C33 1.370(10) . ?
C32 H32A 0.95 . ?
C33 C34 1.376(10) . ?
C33 H33A 0.95 . ?
C34 C35 1.398(11) . ?
C34 H34A 0.95 . ?
C35 C36 1.369(10) . ?
C35 H35A 0.95 . ?
C36 H36A 0.95 . ?

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
As1 W1 As1 179.9980(10) . 2_777 ?
As1 W1 As13 92.89(2) . . ?
As1 W1 As13 87.11(2) 2_777 . ?
As1 W1 As13 87.11(2) . 2_777 ?
As1 W1 As13 92.89(2) 2_777 2_777 ?
As13 W1 As13 180 . 2_777 ?
As1 W1 As7 89.67(2) . 2_777 ?
As1 W1 As7 90.33(2) 2_777 2_777 ?
As13 W1 As7 88.64(2) . 2_777 ?
As13 W1 As7 91.36(2) 2_777 2_777 ?
As1 W1 As7 90.33(2) . . ?
As1 W1 As7 89.67(2) 2_777 . ?
As13 W1 As7 91.36(2) . . ?
As13 W1 As7 88.64(2) 2_777 . ?
As7 W1 As7 179.9990(10) 2_777 . ?
C2 As1 C6 98.5(3) . . ?
C2 As1 W1 129.7(2) . . ?
C6 As1 W1 131.8(2) . . ?
C3 C2 As1 123.7(5) . . ?
C3 C2 H2A 118.2 . . ?
As1 C2 H2A 118.2 . . ?
As31 W2 As31 179.9980(10) 2_766 . ?
As31 W2 As25 91.69(2) 2_766 . ?
As31 W2 As25 88.31(2) . . ?
As31 W2 As25 88.31(2) 2_766 2_766 ?
As31 W2 As25 91.69(2) . 2_766 ?
As25 W2 As25 180 . 2_766 ?
As31 W2 As19 92.20(2) 2_766 2_766 ?
As31 W2 As19 87.80(2) . 2_766 ?
As25 W2 As19 90.61(2) . 2_766 ?
As25 W2 As19 89.40(2) 2_766 2_766 ?
As31 W2 As19 87.80(2) 2_766 . ?
As31 W2 As19 92.20(2) . . ?
As25 W2 As19 89.40(2) . . ?
As25 W2 As19 90.60(2) 2_766 . ?
As19 W2 As19 179.9980(10) 2_766 . ?
C2 C3 C4 125.7(7) . . ?
C2 C3 H3A 117.1 . . ?
C4 C3 H3A 117.1 . . ?
C5 C4 C3 123.2(6) . . ?
C5 C4 H4A 118.4 . . ?
C3 C4 H4A 118.4 . . ?
C4 C5 C6 125.7(6) . . ?
C4 C5 H5A 117.2 . . ?
C6 C5 H5A 117.2 . . ?
C5 C6 As1 123.2(5) . . ?
C5 C6 H6A 118.4 . . ?
As1 C6 H6A 118.4 . . ?
C12 As7 C8 99.4(3) . . ?
C12 As7 W1 129.50(18) . . ?
C8 As7 W1 131.0(2) . . ?
C9 C8 As7 122.1(5) . . ?
C9 C8 H8A 119 . . ?
As7 C8 H8A 119 . . ?
C10 C9 C8 126.0(6) . . ?
C10 C9 H9A 117 . . ?
C8 C9 H9A 117 . . ?
C9 C10 C11 124.7(6) . . ?
C9 C10 H10A 117.6 . . ?
C11 C10 H10A 117.6 . . ?
C10 C11 C12 123.3(7) . . ?
C10 C11 H11A 118.3 . . ?
C12 C11 H11A 118.3 . . ?
C11 C12 As7 124.4(5) . . ?
C11 C12 H12A 117.8 . . ?
As7 C12 H12A 117.8 . . ?
C14 As13 C18 98.0(3) . . ?
C14 As13 W1 133.5(2) . . ?
C18 As13 W1 128.5(2) . . ?
C15 C14 As13 124.1(5) . . ?
C15 C14 H14A 118 . . ?
As13 C14 H14A 118 . . ?
C16 C15 C14 124.7(7) . . ?
C16 C15 H15A 117.6 . . ?
C14 C15 H15A 117.6 . . ?
C15 C16 C17 124.9(7) . . ?
C15 C16 H16A 117.5 . . ?
C17 C16 H16A 117.5 . . ?
C18 C17 C16 124.3(6) . . ?
C18 C17 H17A 117.8 . . ?
C16 C17 H17A 117.8 . . ?
C17 C18 As13 123.9(5) . . ?
C17 C18 H18A 118 . . ?
As13 C18 H18A 118 . . ?
C24 As19 C20 99.3(3) . . ?
C24 As19 W2 129.1(2) . . ?
C20 As19 W2 131.6(2) . . ?
C21 C20 As19 122.5(6) . . ?
C21 C20 H20A 118.8 . . ?
As19 C20 H20A 118.8 . . ?
C22 C21 C20 125.6(7) . . ?
C22 C21 H21A 117.2 . . ?
C20 C21 H21A 117.2 . . ?
C21 C22 C23 124.4(6) . . ?
C21 C22 H22A 117.8 . . ?
C23 C22 H22A 117.8 . . ?
C22 C23 C24 125.2(6) . . ?
C22 C23 H23A 117.4 . . ?
C24 C23 H23A 117.4 . . ?
C23 C24 As19 123.0(6) . . ?
C23 C24 H24A 118.5 . . ?
As19 C24 H24A 118.5 . . ?
C30 As25 C26 98.7(3) . . ?
C30 As25 W2 132.0(2) . . ?
C26 As25 W2 128.6(2) . . ?
C27 C26 As25 123.6(4) . . ?
C27 C26 H26A 118.2 . . ?
As25 C26 H26A 118.2 . . ?
C26 C27 C28 125.8(6) . . ?
C26 C27 H27A 117.1 . . ?
C28 C27 H27A 117.1 . . ?
C27 C28 C29 122.9(7) . . ?
C27 C28 H28A 118.5 . . ?
C29 C28 H28A 118.5 . . ?
C30 C29 C28 126.1(6) . . ?
C30 C29 H29A 116.9 . . ?
C28 C29 H29A 116.9 . . ?
C29 C30 As25 122.9(4) . . ?
C29 C30 H30A 118.6 . . ?
As25 C30 H30A 118.6 . . ?
C32 As31 C36 98.6(3) . . ?
C32 As31 W2 129.9(2) . . ?
C36 As31 W2 131.1(2) . . ?
C33 C32 As31 123.5(6) . . ?
C33 C32 H32A 118.2 . . ?
As31 C32 H32A 118.2 . . ?
C32 C33 C34 125.8(7) . . ?
C32 C33 H33A 117.1 . . ?
C34 C33 H33A 117.1 . . ?
C33 C34 C35 123.6(6) . . ?
C33 C34 H34A 118.2 . . ?
C35 C34 H34A 118.2 . . ?
C36 C35 C34 124.6(7) . . ?
C36 C35 H35A 117.7 . . ?
C34 C35 H35A 117.7 . . ?
C35 C36 As31 123.8(6) . . ?
C35 C36 H36A 118.1 . . ?
As31 C36 H36A 118.1 . . ?

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
As1 W1 As1 C2 11E1(3) 2_777 . . . ?
As13 W1 As1 C2 142.5(2) . . . . ?
As13 W1 As1 C2 -37.5(2) 2_777 . . . ?
As7 W1 As1 C2 -128.9(2) 2_777 . . . ?
As7 W1 As1 C2 51.1(2) . . . . ?
As1 W1 As1 C6 -7E1(3) 2_777 . . . ?
As13 W1 As1 C6 -36.3(2) . . . . ?
As13 W1 As1 C6 143.7(2) 2_777 . . . ?
As7 W1 As1 C6 52.4(2) 2_777 . . . ?
As7 W1 As1 C6 -127.6(2) . . . . ?
C6 As1 C2 C3 2.4(6) . . . . ?
W1 As1 C2 C3 -176.7(4) . . . . ?
As1 C2 C3 C4 -2.0(9) . . . . ?
C2 C3 C4 C5 0.2(10) . . . . ?
C3 C4 C5 C6 0.6(10) . . . . ?
C4 C5 C6 As1 0.5(9) . . . . ?
C2 As1 C6 C5 -1.7(6) . . . . ?
W1 As1 C6 C5 177.3(4) . . . . ?
As1 W1 As7 C12 -38.2(3) . . . . ?
As1 W1 As7 C12 141.8(3) 2_777 . . . ?
As13 W1 As7 C12 -131.1(3) . . . . ?
As13 W1 As7 C12 48.9(3) 2_777 . . . ?
As7 W1 As7 C12 -11E1(6) 2_777 . . . ?
As1 W1 As7 C8 146.7(3) . . . . ?
As1 W1 As7 C8 -33.3(3) 2_777 . . . ?
As13 W1 As7 C8 53.8(3) . . . . ?
As13 W1 As7 C8 -126.2(3) 2_777 . . . ?
As7 W1 As7 C8 8E1(6) 2_777 . . . ?
C12 As7 C8 C9 -2.2(7) . . . . ?
W1 As7 C8 C9 173.9(5) . . . . ?
As7 C8 C9 C10 2.3(11) . . . . ?
C8 C9 C10 C11 -0.2(12) . . . . ?
C9 C10 C11 C12 -1.8(12) . . . . ?
C10 C11 C12 As7 1.2(11) . . . . ?
C8 As7 C12 C11 0.6(7) . . . . ?
W1 As7 C12 C11 -175.6(5) . . . . ?
As1 W1 As13 C14 40.9(4) . . . . ?
As1 W1 As13 C14 -139.1(4) 2_777 . . . ?
As13 W1 As13 C14 -9E1(3) 2_777 . . . ?
As7 W1 As13 C14 -48.7(4) 2_777 . . . ?
As7 W1 As13 C14 131.3(4) . . . . ?
As1 W1 As13 C18 -139.7(3) . . . . ?
As1 W1 As13 C18 40.3(3) 2_777 . . . ?
As13 W1 As13 C18 9E1(3) 2_777 . . . ?
As7 W1 As13 C18 130.7(3) 2_777 . . . ?
As7 W1 As13 C18 -49.3(3) . . . . ?
C18 As13 C14 C15 1.2(8) . . . . ?
W1 As13 C14 C15 -179.3(5) . . . . ?
As13 C14 C15 C16 -0.6(13) . . . . ?
C14 C15 C16 C17 -1.9(13) . . . . ?
C15 C16 C17 C18 3.5(13) . . . . ?
C16 C17 C18 As13 -2.4(12) . . . . ?
C14 As13 C18 C17 0.2(8) . . . . ?
W1 As13 C18 C17 -179.3(5) . . . . ?
As31 W2 As19 C24 -2.0(3) 2_766 . . . ?
As31 W2 As19 C24 178.0(3) . . . . ?
As25 W2 As19 C24 89.7(3) . . . . ?
As25 W2 As19 C24 -90.3(3) 2_766 . . . ?
As19 W2 As19 C24 -144(8) 2_766 . . . ?
As31 W2 As19 C20 176.1(3) 2_766 . . . ?
As31 W2 As19 C20 -3.9(3) . . . . ?
As25 W2 As19 C20 -92.2(3) . . . . ?
As25 W2 As19 C20 87.8(3) 2_766 . . . ?
As19 W2 As19 C20 35(8) 2_766 . . . ?
C24 As19 C20 C21 1.6(7) . . . . ?
W2 As19 C20 C21 -176.9(5) . . . . ?
As19 C20 C21 C22 -0.4(12) . . . . ?
C20 C21 C22 C23 -0.9(14) . . . . ?
C21 C22 C23 C24 0.4(13) . . . . ?
C22 C23 C24 As19 1.4(10) . . . . ?
C20 As19 C24 C23 -2.1(6) . . . . ?
W2 As19 C24 C23 176.5(4) . . . . ?
As31 W2 As25 C30 74.8(3) 2_766 . . . ?
As31 W2 As25 C30 -105.2(3) . . . . ?
As25 W2 As25 C30 1E1(4) 2_766 . . . ?
As19 W2 As25 C30 167.0(3) 2_766 . . . ?
As19 W2 As25 C30 -13.0(3) . . . . ?
As31 W2 As25 C26 -117.2(3) 2_766 . . . ?
As31 W2 As25 C26 62.8(3) . . . . ?
As25 W2 As25 C26 -18E1(4) 2_766 . . . ?
As19 W2 As25 C26 -25.0(3) 2_766 . . . ?
As19 W2 As25 C26 155.0(3) . . . . ?
C30 As25 C26 C27 1.5(7) . . . . ?
W2 As25 C26 C27 -169.5(5) . . . . ?
As25 C26 C27 C28 -1.7(12) . . . . ?
C26 C27 C28 C29 1.2(13) . . . . ?
C27 C28 C29 C30 -0.7(12) . . . . ?
C28 C29 C30 As25 0.9(11) . . . . ?
C26 As25 C30 C29 -1.1(7) . . . . ?
W2 As25 C30 C29 169.4(5) . . . . ?
As31 W2 As31 C32 -167(17) 2_766 . . . ?
As25 W2 As31 C32 -11.8(2) . . . . ?
As25 W2 As31 C32 168.2(2) 2_766 . . . ?
As19 W2 As31 C32 78.8(2) 2_766 . . . ?
As19 W2 As31 C32 -101.2(2) . . . . ?
As31 W2 As31 C36 22(18) 2_766 . . . ?
As25 W2 As31 C36 177.1(3) . . . . ?
As25 W2 As31 C36 -2.9(3) 2_766 . . . ?
As19 W2 As31 C36 -92.2(3) 2_766 . . . ?
As19 W2 As31 C36 87.8(3) . . . . ?
C36 As31 C32 C33 0.1(6) . . . . ?
W2 As31 C32 C33 -173.0(4) . . . . ?
As31 C32 C33 C34 1.1(9) . . . . ?
C32 C33 C34 C35 -1.8(10) . . . . ?
C33 C34 C35 C36 0.9(10) . . . . ?
C34 C35 C36 As31 0.5(10) . . . . ?
C32 As31 C36 C35 -0.9(6) . . . . ?
W2 As31 C36 C35 172.2(4) . . . . ?