# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 186/1971
 
data_mz410 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C20 H31 As Cl Mo O3 P3' 
_chemical_formula_weight          618.67 
 
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' 
 'As'  'As'   0.0499   2.0058 
 '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' 
 'Mo'  'Mo'  -1.6832   0.6857 
 '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' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    P2(1)/c
 
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' 
 
_cell_length_a                    16.308(2) 
_cell_length_b                    16.303(4) 
_cell_length_c                    10.132(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  91.000(13) 
_cell_angle_gamma                 90.00 
_cell_volume                      2693.5(10) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     223(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             orange
_exptl_crystal_size_max           0.42
_exptl_crystal_size_mid           0.34
_exptl_crystal_size_min           0.28
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.526 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1248 
_exptl_absorpt_coefficient_mu     2.001 
_exptl_absorpt_correction_type    psi-scans
_exptl_absorpt_correction_T_min   0.8045
_exptl_absorpt_correction_T_max   1.0000
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       223(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'BRUKERS P4'
_diffrn_measurement_method        theta/2theta
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          3
_diffrn_standards_interval_count  97 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0.2
_diffrn_reflns_number             7944 
_diffrn_reflns_av_R_equivalents   0.0576 
_diffrn_reflns_av_sigmaI/netI     0.0677 
_diffrn_reflns_limit_h_min        -17 
_diffrn_reflns_limit_h_max        17 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          1.77 
_diffrn_reflns_theta_max          23.00 
_reflns_number_total              3738 
_reflns_number_gt                 2703 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'BRUKERS XSCANS'
_computing_cell_refinement        'BRUKERS XSCANS'   
_computing_data_reduction         'BRUKERS XSCANS'   
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'BRUKERS SHELXTL'  
_computing_publication_material   'BRUKERS SHELXTL'   
 
_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^)+(0.0280P)^2^+0.2339P] 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     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3738 
_refine_ls_number_parameters      286 
_refine_ls_number_restraints      6 
_refine_ls_R_factor_all           0.0555 
_refine_ls_R_factor_gt            0.0301 
_refine_ls_wR_factor_ref          0.0732 
_refine_ls_wR_factor_gt           0.0635 
_refine_ls_goodness_of_fit_ref    1.031 
_refine_ls_restrained_S_all       1.031 
_refine_ls_shift/su_max           6.391 
_refine_ls_shift/su_mean          0.359 
 
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 
Mo1 Mo 0.02631(2) 0.85454(3) 0.71822(4) 0.03066(13) Uani 1 1 d . A . 
C11 C 0.1159(3) 0.9182(3) 0.8750(4) 0.0273(11) Uani 1 1 d . . . 
C12 C 0.0499(3) 0.8784(3) 0.9411(5) 0.0329(12) Uani 1 1 d D . . 
C13 C -0.0237(3) 0.9190(3) 0.9002(5) 0.0382(12) Uani 1 1 d D . . 
C14 C -0.0036(3) 0.9798(3) 0.8100(5) 0.0412(13) Uani 1 1 d D . . 
C15 C 0.0822(3) 0.9796(3) 0.7949(5) 0.0356(12) Uani 1 1 d D . . 
C16 C -0.0775(3) 0.8685(4) 0.6189(7) 0.075(2) Uani 1 1 d . . . 
O16 O -0.1292(6) 0.8896(6) 0.5411(9) 0.067(3) Uiso 0.50 1 d P A 1 
O16' O -0.1467(5) 0.8608(6) 0.5811(10) 0.066(3) Uiso 0.50 1 d P A 2 
C17 C -0.0273(3) 0.7449(4) 0.7392(6) 0.0578(16) Uani 1 1 d . . . 
O17 O -0.0572(3) 0.6827(3) 0.7551(5) 0.0947(17) Uani 1 1 d . A . 
C18 C 0.0671(4) 0.8765(4) 0.5344(6) 0.0620(17) Uani 1 1 d . . . 
O18 O 0.0897(3) 0.8928(3) 0.4339(5) 0.1048(18) Uani 1 1 d . A . 
As1 As 0.23201(3) 0.89084(3) 0.91107(5) 0.02797(14) Uani 1 1 d . . . 
P2 P 0.29309(7) 0.95310(7) 0.72694(12) 0.0306(3) Uani 1 1 d . . . 
C2 C 0.3769(3) 0.8782(3) 0.6790(5) 0.0364(12) Uani 1 1 d . . . 
C21 C 0.3378(3) 0.8135(3) 0.5883(6) 0.0649(18) Uani 1 1 d . . . 
H21A H 0.3805 0.7799 0.5504 0.097 Uiso 1 1 calc R . . 
H21B H 0.3069 0.8405 0.5182 0.097 Uiso 1 1 calc R . . 
H21C H 0.3014 0.7792 0.6389 0.097 Uiso 1 1 calc R . . 
C22 C 0.4209(3) 0.8372(3) 0.7952(5) 0.0584(16) Uani 1 1 d . . . 
H22A H 0.3829 0.8019 0.8410 0.088 Uiso 1 1 calc R . . 
H22B H 0.4417 0.8789 0.8554 0.088 Uiso 1 1 calc R . . 
H22C H 0.4663 0.8047 0.7632 0.088 Uiso 1 1 calc R . . 
C23 C 0.4387(3) 0.9281(3) 0.6001(5) 0.0493(14) Uani 1 1 d . . . 
H23A H 0.4643 0.9688 0.6570 0.074 Uiso 1 1 calc R . . 
H23B H 0.4105 0.9553 0.5272 0.074 Uiso 1 1 calc R . . 
H23C H 0.4804 0.8918 0.5659 0.074 Uiso 1 1 calc R . . 
P3 P 0.36027(7) 1.03452(7) 0.86841(12) 0.0303(3) Uani 1 1 d . . . 
C3 C 0.3449(3) 1.1412(3) 0.7980(5) 0.0386(12) Uani 1 1 d . . . 
C31 C 0.2580(3) 1.1614(3) 0.7551(6) 0.0580(16) Uani 1 1 d . . . 
H31A H 0.2561 1.2165 0.7191 0.087 Uiso 1 1 calc R . . 
H31B H 0.2223 1.1581 0.8306 0.087 Uiso 1 1 calc R . . 
H31C H 0.2397 1.1226 0.6882 0.087 Uiso 1 1 calc R . . 
C32 C 0.3735(4) 1.2000(3) 0.9079(6) 0.0655(17) Uani 1 1 d . . . 
H32A H 0.3752 1.2555 0.8736 0.098 Uiso 1 1 calc R . . 
H32B H 0.4277 1.1841 0.9391 0.098 Uiso 1 1 calc R . . 
H32C H 0.3355 1.1975 0.9804 0.098 Uiso 1 1 calc R . . 
C33 C 0.4021(3) 1.1488(3) 0.6809(5) 0.0563(15) Uani 1 1 d . . . 
H33A H 0.3851 1.1107 0.6123 0.085 Uiso 1 1 calc R . . 
H33B H 0.4578 1.1363 0.7093 0.085 Uiso 1 1 calc R . . 
H33C H 0.3998 1.2044 0.6466 0.085 Uiso 1 1 calc R . . 
P4 P 0.25815(7) 1.02001(7) 1.00856(12) 0.0297(3) Uani 1 1 d . . . 
C4 C 0.3086(3) 0.9941(3) 1.1722(4) 0.0316(11) Uani 1 1 d . . . 
C41 C 0.2400(3) 0.9617(3) 1.2582(5) 0.0489(14) Uani 1 1 d . . . 
H41A H 0.2610 0.9529 1.3473 0.073 Uiso 1 1 calc R . . 
H41B H 0.2198 0.9102 1.2223 0.073 Uiso 1 1 calc R . . 
H41C H 0.1957 1.0013 1.2598 0.073 Uiso 1 1 calc R . . 
C42 C 0.3412(3) 1.0750(3) 1.2295(5) 0.0555(15) Uani 1 1 d . . . 
H42A H 0.2974 1.1153 1.2296 0.083 Uiso 1 1 calc R . . 
H42B H 0.3857 1.0948 1.1759 0.083 Uiso 1 1 calc R . . 
H42C H 0.3610 1.0661 1.3192 0.083 Uiso 1 1 calc R . . 
C43 C 0.3779(3) 0.9318(3) 1.1661(5) 0.0481(14) Uani 1 1 d . . . 
H43A H 0.3992 0.9214 1.2545 0.072 Uiso 1 1 calc R . . 
H43B H 0.4213 0.9532 1.1117 0.072 Uiso 1 1 calc R . . 
H43C H 0.3573 0.8810 1.1282 0.072 Uiso 1 1 calc R . . 
Cl1 Cl 0.14160(7) 0.75510(9) 0.70053(15) 0.0612(4) Uani 1 1 d . . . 
H12 H 0.059(4) 0.838(3) 0.999(4) 0.10(2) Uiso 1 1 d D . . 
H13 H -0.0721(18) 0.907(3) 0.930(4) 0.029(13) Uiso 1 1 d D . . 
H14 H -0.035(2) 1.015(2) 0.769(4) 0.048(16) Uiso 1 1 d D . . 
H15 H 0.110(2) 1.011(2) 0.742(3) 0.013(12) Uiso 1 1 d D . . 
 
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 
Mo1 0.0268(2) 0.0345(3) 0.0306(2) -0.0055(2) -0.00239(18) -0.00130(19) 
C11 0.032(2) 0.025(3) 0.025(2) -0.008(2) -0.004(2) 0.001(2) 
C12 0.032(3) 0.043(3) 0.024(3) -0.007(2) 0.003(2) -0.002(2) 
C13 0.021(3) 0.052(3) 0.042(3) -0.013(3) 0.003(2) -0.003(2) 
C14 0.035(3) 0.038(3) 0.051(4) -0.007(3) -0.009(3) 0.008(2) 
C15 0.038(3) 0.032(3) 0.038(3) 0.001(3) -0.003(2) -0.003(2) 
C16 0.046(4) 0.098(5) 0.080(5) -0.042(4) -0.034(3) 0.019(3) 
C17 0.040(3) 0.052(4) 0.082(4) -0.018(4) 0.002(3) -0.015(3) 
O17 0.069(3) 0.066(3) 0.150(5) -0.013(3) 0.015(3) -0.031(3) 
C18 0.086(5) 0.059(4) 0.041(4) -0.001(3) 0.005(3) -0.009(3) 
O18 0.149(5) 0.114(4) 0.053(3) 0.013(3) 0.024(3) -0.018(4) 
As1 0.0242(2) 0.0291(3) 0.0306(3) -0.0001(2) -0.0011(2) -0.0008(2) 
P2 0.0302(6) 0.0327(7) 0.0289(7) 0.0013(6) 0.0008(6) -0.0001(5) 
C2 0.033(3) 0.035(3) 0.041(3) 0.002(2) 0.015(2) 0.002(2) 
C21 0.064(4) 0.050(4) 0.081(5) -0.026(3) 0.023(3) -0.007(3) 
C22 0.051(3) 0.061(4) 0.064(4) 0.014(3) 0.018(3) 0.025(3) 
C23 0.040(3) 0.055(3) 0.053(4) -0.009(3) 0.019(3) 0.000(3) 
P3 0.0269(6) 0.0294(7) 0.0345(7) 0.0033(6) -0.0025(6) -0.0013(5) 
C3 0.047(3) 0.030(3) 0.038(3) 0.004(3) -0.004(2) -0.004(2) 
C31 0.057(3) 0.038(3) 0.079(4) 0.019(3) -0.008(3) 0.008(3) 
C32 0.093(5) 0.036(3) 0.067(4) 0.002(3) -0.017(4) -0.008(3) 
C33 0.062(4) 0.052(3) 0.055(4) 0.023(3) 0.003(3) -0.007(3) 
P4 0.0264(6) 0.0312(7) 0.0316(7) -0.0033(6) -0.0028(5) -0.0012(5) 
C4 0.031(2) 0.038(3) 0.026(3) -0.006(2) -0.002(2) -0.003(2) 
C41 0.043(3) 0.066(4) 0.037(3) 0.001(3) 0.002(3) -0.005(3) 
C42 0.064(4) 0.059(4) 0.044(3) -0.004(3) -0.012(3) -0.015(3) 
C43 0.041(3) 0.063(4) 0.040(3) 0.001(3) -0.012(3) 0.010(3) 
Cl1 0.0445(7) 0.0548(9) 0.0840(11) -0.0226(9) -0.0033(7) 0.0066(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 
Mo1 C16 1.968(5) . ? 
Mo1 C17 2.003(6) . ? 
Mo1 C18 2.021(6) . ? 
Mo1 C13 2.285(5) . ? 
Mo1 C14 2.300(5) . ? 
Mo1 C12 2.318(5) . ? 
Mo1 C15 2.359(5) . ? 
Mo1 C11 2.378(4) . ? 
Mo1 Cl1 2.4914(14) . ? 
C11 C15 1.396(6) . ? 
C11 C12 1.433(6) . ? 
C11 As1 1.973(4) . ? 
C12 C13 1.426(6) . ? 
C12 H12 0.89(3) . ? 
C13 C14 1.392(7) . ? 
C13 H13 0.87(3) . ? 
C14 C15 1.410(6) . ? 
C14 H14 0.87(3) . ? 
C15 H15 0.87(3) . ? 
C16 O16' 1.191(10) . ? 
C16 O16 1.194(10) . ? 
C17 O17 1.137(6) . ? 
C18 O18 1.121(6) . ? 
As1 P2 2.3598(13) . ? 
As1 P4 2.3617(14) . ? 
P2 C2 1.902(4) . ? 
P2 P3 2.2276(17) . ? 
C2 C22 1.523(7) . ? 
C2 C21 1.530(7) . ? 
C2 C23 1.531(6) . ? 
C21 H21A 0.9700 . ? 
C21 H21B 0.9700 . ? 
C21 H21C 0.9700 . ? 
C22 H22A 0.9700 . ? 
C22 H22B 0.9700 . ? 
C22 H22C 0.9700 . ? 
C23 H23A 0.9700 . ? 
C23 H23B 0.9700 . ? 
C23 H23C 0.9700 . ? 
P3 C3 1.895(5) . ? 
P3 P4 2.2200(17) . ? 
C3 C31 1.512(7) . ? 
C3 C32 1.535(7) . ? 
C3 C33 1.527(7) . ? 
C31 H31A 0.9700 . ? 
C31 H31B 0.9700 . ? 
C31 H31C 0.9700 . ? 
C32 H32A 0.9700 . ? 
C32 H32B 0.9700 . ? 
C32 H32C 0.9700 . ? 
C33 H33A 0.9700 . ? 
C33 H33B 0.9700 . ? 
C33 H33C 0.9700 . ? 
P4 C4 1.886(5) . ? 
C4 C43 1.522(6) . ? 
C4 C41 1.524(6) . ? 
C4 C42 1.532(6) . ? 
C41 H41A 0.9700 . ? 
C41 H41B 0.9700 . ? 
C41 H41C 0.9700 . ? 
C42 H42A 0.9700 . ? 
C42 H42B 0.9700 . ? 
C42 H42C 0.9700 . ? 
C43 H43A 0.9700 . ? 
C43 H43B 0.9700 . ? 
C43 H43C 0.9700 . ? 
 
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 
C16 Mo1 C17 77.5(3) . . ? 
C16 Mo1 C18 78.6(3) . . ? 
C17 Mo1 C18 114.1(2) . . ? 
C16 Mo1 C13 92.5(2) . . ? 
C17 Mo1 C13 99.3(2) . . ? 
C18 Mo1 C13 142.2(2) . . ? 
C16 Mo1 C14 85.3(2) . . ? 
C17 Mo1 C14 130.8(2) . . ? 
C18 Mo1 C14 106.9(2) . . ? 
C13 Mo1 C14 35.35(18) . . ? 
C16 Mo1 C12 127.3(2) . . ? 
C17 Mo1 C12 96.4(2) . . ? 
C18 Mo1 C12 144.8(2) . . ? 
C13 Mo1 C12 36.08(16) . . ? 
C14 Mo1 C12 59.32(18) . . ? 
C16 Mo1 C15 113.1(2) . . ? 
C17 Mo1 C15 154.6(2) . . ? 
C18 Mo1 C15 91.1(2) . . ? 
C13 Mo1 C15 58.54(18) . . ? 
C14 Mo1 C15 35.21(16) . . ? 
C12 Mo1 C15 58.49(17) . . ? 
C16 Mo1 C11 143.6(2) . . ? 
C17 Mo1 C11 125.6(2) . . ? 
C18 Mo1 C11 109.3(2) . . ? 
C13 Mo1 C11 58.93(15) . . ? 
C14 Mo1 C11 58.32(16) . . ? 
C12 Mo1 C11 35.50(15) . . ? 
C15 Mo1 C11 34.28(15) . . ? 
C16 Mo1 Cl1 133.00(17) . . ? 
C17 Mo1 Cl1 76.02(15) . . ? 
C18 Mo1 Cl1 77.78(18) . . ? 
C13 Mo1 Cl1 129.60(13) . . ? 
C14 Mo1 Cl1 140.59(13) . . ? 
C12 Mo1 Cl1 93.82(12) . . ? 
C15 Mo1 Cl1 107.36(12) . . ? 
C11 Mo1 Cl1 82.89(11) . . ? 
C15 C11 C12 107.8(4) . . ? 
C15 C11 As1 129.5(3) . . ? 
C12 C11 As1 122.5(3) . . ? 
C15 C11 Mo1 72.1(3) . . ? 
C12 C11 Mo1 70.0(2) . . ? 
As1 C11 Mo1 127.0(2) . . ? 
C13 C12 C11 106.8(4) . . ? 
C13 C12 Mo1 70.7(3) . . ? 
C11 C12 Mo1 74.5(3) . . ? 
C13 C12 H12 131(4) . . ? 
C11 C12 H12 122(4) . . ? 
Mo1 C12 H12 122(4) . . ? 
C14 C13 C12 108.4(4) . . ? 
C14 C13 Mo1 72.9(3) . . ? 
C12 C13 Mo1 73.2(3) . . ? 
C14 C13 H13 127(3) . . ? 
C12 C13 H13 124(3) . . ? 
Mo1 C13 H13 121(3) . . ? 
C13 C14 C15 108.3(4) . . ? 
C13 C14 Mo1 71.8(3) . . ? 
C15 C14 Mo1 74.7(3) . . ? 
C13 C14 H14 129(3) . . ? 
C15 C14 H14 122(3) . . ? 
Mo1 C14 H14 121(3) . . ? 
C11 C15 C14 108.7(4) . . ? 
C11 C15 Mo1 73.6(3) . . ? 
C14 C15 Mo1 70.1(3) . . ? 
C11 C15 H15 125(3) . . ? 
C14 C15 H15 126(3) . . ? 
Mo1 C15 H15 120(3) . . ? 
O16' C16 O16 33.4(6) . . ? 
O16' C16 Mo1 162.5(8) . . ? 
O16 C16 Mo1 164.1(8) . . ? 
O17 C17 Mo1 177.9(6) . . ? 
O18 C18 Mo1 176.5(6) . . ? 
C11 As1 P2 99.98(14) . . ? 
C11 As1 P4 92.39(12) . . ? 
P2 As1 P4 82.62(5) . . ? 
C2 P2 P3 101.49(16) . . ? 
C2 P2 As1 103.93(15) . . ? 
P3 P2 As1 87.54(6) . . ? 
C22 C2 C21 110.3(4) . . ? 
C22 C2 C23 109.4(4) . . ? 
C21 C2 C23 108.8(4) . . ? 
C22 C2 P2 114.6(3) . . ? 
C21 C2 P2 107.6(3) . . ? 
C23 C2 P2 105.9(3) . . ? 
C2 C21 H21A 109.5 . . ? 
C2 C21 H21B 109.6 . . ? 
H21A C21 H21B 109.5 . . ? 
C2 C21 H21C 109.3 . . ? 
H21A C21 H21C 109.5 . . ? 
H21B C21 H21C 109.5 . . ? 
C2 C22 H22A 109.5 . . ? 
C2 C22 H22B 109.5 . . ? 
H22A C22 H22B 109.5 . . ? 
C2 C22 H22C 109.4 . . ? 
H22A C22 H22C 109.5 . . ? 
H22B C22 H22C 109.5 . . ? 
C2 C23 H23A 109.5 . . ? 
C2 C23 H23B 109.4 . . ? 
H23A C23 H23B 109.5 . . ? 
C2 C23 H23C 109.5 . . ? 
H23A C23 H23C 109.5 . . ? 
H23B C23 H23C 109.5 . . ? 
C3 P3 P4 104.06(16) . . ? 
C3 P3 P2 104.14(16) . . ? 
P4 P3 P2 88.98(6) . . ? 
C31 C3 C32 110.1(4) . . ? 
C31 C3 C33 110.0(4) . . ? 
C32 C3 C33 109.3(4) . . ? 
C31 C3 P3 115.2(3) . . ? 
C32 C3 P3 105.3(3) . . ? 
C33 C3 P3 106.8(3) . . ? 
C3 C31 H31A 109.4 . . ? 
C3 C31 H31B 109.5 . . ? 
H31A C31 H31B 109.5 . . ? 
C3 C31 H31C 109.5 . . ? 
H31A C31 H31C 109.5 . . ? 
H31B C31 H31C 109.5 . . ? 
C3 C32 H32A 109.4 . . ? 
C3 C32 H32B 109.4 . . ? 
H32A C32 H32B 109.5 . . ? 
C3 C32 H32C 109.6 . . ? 
H32A C32 H32C 109.5 . . ? 
H32B C32 H32C 109.5 . . ? 
C3 C33 H33A 109.4 . . ? 
C3 C33 H33B 109.6 . . ? 
H33A C33 H33B 109.5 . . ? 
C3 C33 H33C 109.5 . . ? 
H33A C33 H33C 109.5 . . ? 
H33B C33 H33C 109.5 . . ? 
C4 P4 P3 105.41(14) . . ? 
C4 P4 As1 103.95(15) . . ? 
P3 P4 As1 87.67(5) . . ? 
C43 C4 C41 110.1(4) . . ? 
C43 C4 C42 109.7(4) . . ? 
C41 C4 C42 109.6(4) . . ? 
C43 C4 P4 115.2(3) . . ? 
C41 C4 P4 105.5(3) . . ? 
C42 C4 P4 106.5(3) . . ? 
C4 C41 H41A 109.4 . . ? 
C4 C41 H41B 109.6 . . ? 
H41A C41 H41B 109.5 . . ? 
C4 C41 H41C 109.5 . . ? 
H41A C41 H41C 109.5 . . ? 
H41B C41 H41C 109.5 . . ? 
C4 C42 H42A 109.5 . . ? 
C4 C42 H42B 109.4 . . ? 
H42A C42 H42B 109.5 . . ? 
C4 C42 H42C 109.5 . . ? 
H42A C42 H42C 109.5 . . ? 
H42B C42 H42C 109.5 . . ? 
C4 C43 H43A 109.5 . . ? 
C4 C43 H43B 109.4 . . ? 
H43A C43 H43B 109.5 . . ? 
C4 C43 H43C 109.5 . . ? 
H43A C43 H43C 109.5 . . ? 
H43B C43 H43C 109.5 . . ? 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              23.00 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.490 
_refine_diff_density_min   -0.532 
_refine_diff_density_rms    0.098 
 
data_sx415 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C20 H31 As Cl O3 P3 W' 
_chemical_formula_weight          706.58 
 
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' 
 'O'  'O'   0.0106   0.0060 
 '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' 
 'W'  'W'  -0.8490   6.8722 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/c 
 
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' 
 
_cell_length_a                    16.412(3) 
_cell_length_b                    16.440(2) 
_cell_length_c                    10.1301(16) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  91.351(13) 
_cell_angle_gamma                 90.00 
_cell_volume                      2732.4(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             orange
_exptl_crystal_size_max           0.42
_exptl_crystal_size_mid           0.36 
_exptl_crystal_size_min           0.13
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.718 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1376 
_exptl_absorpt_coefficient_mu     5.720 
_exptl_absorpt_correction_type    psi-scans
_exptl_absorpt_correction_T_min   0.451
_exptl_absorpt_correction_T_max   1.000
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'BRUKER P4'
_diffrn_measurement_method        theta/2theta
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          3
_diffrn_standards_interval_count  97 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0.2
_diffrn_reflns_number             6954 
_diffrn_reflns_av_R_equivalents   0.0343 
_diffrn_reflns_av_sigmaI/netI     0.0399 
_diffrn_reflns_limit_h_min        -17 
_diffrn_reflns_limit_h_max        17 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -10 
_diffrn_reflns_limit_l_max        10 
_diffrn_reflns_theta_min          2.36 
_diffrn_reflns_theta_max          22.00 
_reflns_number_total              3343 
_reflns_number_gt                 2670 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'BRUKER SCANS'
_computing_cell_refinement        'BRUKER SCANS' 
_computing_data_reduction         'BRUKER SCANS' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL BRUKER      '
_computing_publication_material   'SHELXTL BRUKER     '
 
_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^)+(0.1474P)^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     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3343 
_refine_ls_number_parameters      268 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0817 
_refine_ls_R_factor_gt            0.0687 
_refine_ls_wR_factor_ref          0.1839 
_refine_ls_wR_factor_gt           0.1747 
_refine_ls_goodness_of_fit_ref    1.004 
_refine_ls_restrained_S_all       1.004 
_refine_ls_shift/su_max           0.349 
_refine_ls_shift/su_mean          0.022 
 
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 0.02727(3) 0.85698(3) 0.71389(5) 0.0477(3) Uani 1 1 d . . . 
C11 C 0.1167(7) 0.9202(8) 0.8698(12) 0.044(3) Uani 1 1 d . A . 
C12 C 0.0510(9) 0.8822(10) 0.9359(13) 0.061(4) Uani 1 1 d . A . 
C13 C -0.0261(9) 0.9203(11) 0.8964(16) 0.068(4) Uani 1 1 d . A . 
C14 C -0.0021(10) 0.9820(10) 0.8076(18) 0.073(5) Uani 1 1 d . A . 
C15 C 0.0839(8) 0.9816(9) 0.7874(15) 0.060(4) Uani 1 1 d . A . 
C16 C -0.065(2) 0.891(2) 0.568(4) 0.059(6) Uiso 0.51(3) 1 d P A 1 
C16' C -0.078(2) 0.861(2) 0.623(4) 0.059(6) Uiso 0.49(3) 1 d P A 2 
C17 C -0.0318(14) 0.7506(14) 0.729(3) 0.127(10) Uani 1 1 d . A . 
C18 C 0.0744(18) 0.8757(14) 0.5302(17) 0.105(8) Uani 1 1 d . A . 
O16 O -0.122(3) 0.889(3) 0.533(4) 0.132(9) Uiso 0.51(3) 1 d P A 1 
O16' O -0.149(2) 0.855(2) 0.581(4) 0.132(9) Uiso 0.49(3) 1 d P A 2 
O17 O -0.0619(11) 0.6920(14) 0.742(2) 0.177(9) Uani 1 1 d . . . 
O18 O 0.0922(18) 0.8891(15) 0.440(2) 0.194(10) Uani 1 1 d . . . 
As1 As 0.23102(8) 0.89392(8) 0.90889(12) 0.0429(4) Uani 1 1 d . . . 
P2 P 0.2928(2) 0.9538(2) 0.7256(3) 0.0461(8) Uani 1 1 d . A . 
C2 C 0.3751(9) 0.8776(8) 0.6795(14) 0.060(4) Uani 1 1 d . . . 
C21 C 0.3342(12) 0.8154(12) 0.593(2) 0.104(7) Uani 1 1 d . A . 
H21A H 0.3714 0.7715 0.5773 0.156 Uiso 1 1 calc R . . 
H21B H 0.3181 0.8398 0.5105 0.156 Uiso 1 1 calc R . . 
H21C H 0.2869 0.7947 0.6359 0.156 Uiso 1 1 calc R . . 
C22 C 0.4188(12) 0.8387(12) 0.797(2) 0.097(7) Uani 1 1 d . A . 
H22A H 0.4601 0.8024 0.7659 0.146 Uiso 1 1 calc R . . 
H22B H 0.3804 0.8087 0.8476 0.146 Uiso 1 1 calc R . . 
H22C H 0.4437 0.8802 0.8507 0.146 Uiso 1 1 calc R . . 
C23 C 0.4360(10) 0.9249(10) 0.6003(15) 0.074(5) Uani 1 1 d . A . 
H23A H 0.4686 0.9583 0.6587 0.112 Uiso 1 1 calc R . . 
H23B H 0.4075 0.9588 0.5373 0.112 Uiso 1 1 calc R . . 
H23C H 0.4706 0.8877 0.5547 0.112 Uiso 1 1 calc R . . 
P3 P 0.3599(2) 1.0346(2) 0.8677(3) 0.0449(8) Uani 1 1 d . . . 
C3 C 0.3460(10) 1.1401(8) 0.7969(15) 0.059(4) Uani 1 1 d . A . 
C33 C 0.4047(12) 1.1459(10) 0.6782(19) 0.087(6) Uani 1 1 d . . . 
H33A H 0.3880 1.1077 0.6112 0.131 Uiso 1 1 calc R A . 
H33B H 0.4593 1.1336 0.7080 0.131 Uiso 1 1 calc R . . 
H33C H 0.4030 1.2000 0.6424 0.131 Uiso 1 1 calc R . . 
P4 P 0.25791(19) 1.0218(2) 1.0060(3) 0.0438(8) Uani 1 1 d . A . 
C4 C 0.3077(8) 0.9973(8) 1.1700(12) 0.050(3) Uani 1 1 d . . . 
C41 C 0.2375(9) 0.9658(12) 1.2562(14) 0.082(5) Uani 1 1 d . A . 
H41A H 0.2223 0.9120 1.2282 0.123 Uiso 1 1 calc R . . 
H41B H 0.1915 1.0014 1.2467 0.123 Uiso 1 1 calc R . . 
H41C H 0.2554 0.9644 1.3471 0.123 Uiso 1 1 calc R . . 
C42 C 0.3392(10) 1.0779(10) 1.2277(16) 0.077(5) Uani 1 1 d . A . 
H42A H 0.3684 1.0677 1.3092 0.116 Uiso 1 1 calc R . . 
H42B H 0.2939 1.1132 1.2437 0.116 Uiso 1 1 calc R . . 
H42C H 0.3748 1.1033 1.1662 0.116 Uiso 1 1 calc R . . 
C43 C 0.3765(9) 0.9328(10) 1.1657(15) 0.072(4) Uani 1 1 d . A . 
H43A H 0.4033 0.9294 1.2507 0.109 Uiso 1 1 calc R . . 
H43B H 0.4153 0.9482 1.1007 0.109 Uiso 1 1 calc R . . 
H43C H 0.3535 0.8808 1.1429 0.109 Uiso 1 1 calc R . . 
C31 C 0.2592(11) 1.1606(10) 0.750(2) 0.092(6) Uani 1 1 d . . . 
H31A H 0.2211 1.1381 0.8106 0.138 Uiso 1 1 calc R A . 
H31B H 0.2494 1.1380 0.6639 0.138 Uiso 1 1 calc R . . 
H31C H 0.2527 1.2186 0.7465 0.138 Uiso 1 1 calc R . . 
C32 C 0.3737(12) 1.1986(11) 0.9049(19) 0.100(6) Uani 1 1 d . . . 
H32A H 0.3657 1.2535 0.8753 0.150 Uiso 1 1 calc R A . 
H32B H 0.4305 1.1899 0.9253 0.150 Uiso 1 1 calc R . . 
H32C H 0.3425 1.1893 0.9825 0.150 Uiso 1 1 calc R . . 
Cl1 Cl 0.1395(4) 0.7559(4) 0.6985(7) 0.123(2) Uani 1 1 d . A . 
H12 H 0.0573 0.8457 1.0194 0.148 Uiso 1 1 d . . . 
H13 H -0.0914 0.9356 0.9225 0.148 Uiso 1 1 d . . . 
H14 H -0.0376 1.0185 0.7679 0.148 Uiso 1 1 d . . . 
H15 H 0.1331 1.0243 0.7494 0.148 Uiso 1 1 d . . . 
 
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 0.0549(5) 0.0517(5) 0.0365(4) -0.0049(2) 0.0017(3) -0.0042(2) 
C11 0.052(7) 0.049(8) 0.029(6) -0.007(6) 0.002(6) 0.006(6) 
C12 0.067(10) 0.080(11) 0.034(8) -0.017(7) 0.003(7) 0.001(8) 
C13 0.052(9) 0.085(12) 0.065(10) -0.027(9) 0.002(8) 0.001(8) 
C14 0.073(10) 0.047(10) 0.098(13) -0.026(9) -0.014(9) 0.019(8) 
C15 0.058(9) 0.051(9) 0.071(10) 0.001(8) -0.010(7) -0.002(7) 
C17 0.134(19) 0.111(18) 0.138(19) -0.059(15) 0.030(15) -0.096(16) 
C18 0.20(2) 0.091(15) 0.026(9) -0.016(9) -0.003(12) 0.032(15) 
O17 0.121(13) 0.168(19) 0.24(2) -0.023(17) 0.032(14) -0.090(15) 
O18 0.27(3) 0.17(2) 0.14(2) 0.028(17) 0.05(2) -0.013(19) 
As1 0.0474(8) 0.0420(8) 0.0394(8) 0.0012(6) 0.0038(6) -0.0019(6) 
P2 0.056(2) 0.046(2) 0.0366(19) 0.0007(15) 0.0045(15) 0.0001(16) 
C2 0.084(11) 0.046(9) 0.053(9) 0.007(7) 0.026(8) 0.015(8) 
C21 0.117(16) 0.084(14) 0.112(16) -0.050(13) 0.010(13) -0.001(12) 
C22 0.094(13) 0.093(14) 0.107(16) 0.025(11) 0.055(12) 0.040(11) 
C23 0.091(11) 0.078(11) 0.056(10) -0.012(8) 0.022(8) -0.008(9) 
P3 0.0508(19) 0.0413(19) 0.0429(19) 0.0055(15) 0.0062(15) -0.0001(15) 
C3 0.083(11) 0.042(8) 0.053(9) 0.014(7) 0.002(8) 0.013(7) 
C33 0.107(15) 0.068(12) 0.086(14) 0.033(9) 0.021(11) -0.002(9) 
P4 0.0498(19) 0.044(2) 0.0379(18) -0.0031(15) 0.0028(15) -0.0007(15) 
C4 0.060(8) 0.056(8) 0.033(7) 0.001(6) 0.004(6) -0.006(7) 
C41 0.074(10) 0.130(16) 0.042(9) 0.009(9) 0.001(8) -0.019(10) 
C42 0.088(11) 0.082(12) 0.062(10) 0.014(9) -0.016(9) -0.015(9) 
C43 0.084(11) 0.076(11) 0.057(9) 0.005(8) -0.018(8) 0.017(9) 
C31 0.093(13) 0.046(10) 0.137(18) 0.036(10) -0.013(12) 0.001(9) 
C32 0.138(17) 0.063(12) 0.098(14) 0.013(11) -0.028(13) -0.026(11) 
Cl1 0.119(4) 0.113(5) 0.138(5) -0.039(4) 0.006(4) 0.005(4) 
 
_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 C16' 1.95(3) . ? 
W1 C17 2.01(2) . ? 
W1 C16 2.16(4) . ? 
W1 C18 2.05(2) . ? 
W1 C12 2.310(13) . ? 
W1 C13 2.312(15) . ? 
W1 C14 2.320(14) . ? 
W1 C15 2.363(14) . ? 
W1 C11 2.371(12) . ? 
W1 Cl1 2.488(6) . ? 
C11 C15 1.409(19) . ? 
C11 C12 1.428(19) . ? 
C11 As1 1.956(12) . ? 
C12 C13 1.46(2) . ? 
C13 C14 1.42(2) . ? 
C14 C15 1.43(2) . ? 
C16 O16 1.00(4) . ? 
C16' O16' 1.22(5) . ? 
C17 O17 1.09(2) . ? 
C18 O18 0.99(3) . ? 
As1 P2 2.352(4) . ? 
As1 P4 2.359(4) . ? 
P2 C2 1.908(14) . ? 
P2 P3 2.230(5) . ? 
C2 C21 1.50(2) . ? 
C2 C23 1.511(19) . ? 
C2 C22 1.51(2) . ? 
P3 C3 1.889(13) . ? 
P3 P4 2.218(4) . ? 
C3 C31 1.53(2) . ? 
C3 C32 1.52(2) . ? 
C3 C33 1.56(2) . ? 
P4 C4 1.878(13) . ? 
C4 C43 1.55(2) . ? 
C4 C41 1.551(19) . ? 
C4 C42 1.53(2) . ? 
 
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 
C16' W1 C17 68.8(14) . . ? 
C16' W1 C16 21.1(11) . . ? 
C17 W1 C16 86.9(12) . . ? 
C16' W1 C18 85.2(14) . . ? 
C17 W1 C18 113.0(10) . . ? 
C16 W1 C18 67.4(12) . . ? 
C16' W1 C12 125.6(12) . . ? 
C17 W1 C12 98.8(8) . . ? 
C16 W1 C12 135.8(9) . . ? 
C18 W1 C12 142.8(9) . . ? 
C16' W1 C13 90.8(11) . . ? 
C17 W1 C13 98.0(8) . . ? 
C16 W1 C13 99.1(9) . . ? 
C18 W1 C13 144.5(8) . . ? 
C12 W1 C13 36.8(5) . . ? 
C16' W1 C14 88.5(10) . . ? 
C17 W1 C14 129.5(8) . . ? 
C16 W1 C14 84.4(9) . . ? 
C18 W1 C14 108.9(8) . . ? 
C12 W1 C14 58.3(6) . . ? 
C13 W1 C14 35.7(6) . . ? 
C16' W1 C15 117.4(11) . . ? 
C17 W1 C15 156.8(8) . . ? 
C16 W1 C15 104.7(10) . . ? 
C18 W1 C15 90.1(8) . . ? 
C12 W1 C15 58.8(5) . . ? 
C13 W1 C15 60.8(6) . . ? 
C14 W1 C15 35.6(5) . . ? 
C16' W1 C11 146.3(10) . . ? 
C17 W1 C11 128.7(8) . . ? 
C16 W1 C11 138.9(10) . . ? 
C18 W1 C11 107.3(8) . . ? 
C12 W1 C11 35.5(5) . . ? 
C13 W1 C11 60.7(5) . . ? 
C14 W1 C11 58.0(5) . . ? 
C15 W1 C11 34.6(5) . . ? 
C16' W1 Cl1 130.2(9) . . ? 
C17 W1 Cl1 77.4(8) . . ? 
C16 W1 Cl1 129.6(8) . . ? 
C18 W1 Cl1 75.4(7) . . ? 
C12 W1 Cl1 94.2(4) . . ? 
C13 W1 Cl1 130.2(5) . . ? 
C14 W1 Cl1 141.1(4) . . ? 
C15 W1 Cl1 108.2(4) . . ? 
C11 W1 Cl1 83.5(3) . . ? 
C15 C11 C12 108.0(12) . . ? 
C15 C11 As1 129.0(10) . . ? 
C12 C11 As1 122.7(10) . . ? 
C15 C11 W1 72.4(8) . . ? 
C12 C11 W1 69.9(7) . . ? 
As1 C11 W1 127.9(6) . . ? 
C11 C12 C13 110.1(14) . . ? 
C11 C12 W1 74.6(7) . . ? 
C13 C12 W1 71.7(8) . . ? 
C14 C13 C12 103.2(13) . . ? 
C14 C13 W1 72.5(8) . . ? 
C12 C13 W1 71.5(8) . . ? 
C13 C14 C15 112.2(14) . . ? 
C13 C14 W1 71.9(9) . . ? 
C15 C14 W1 73.9(8) . . ? 
C11 C15 C14 106.4(14) . . ? 
C11 C15 W1 73.0(8) . . ? 
C14 C15 W1 70.5(8) . . ? 
O16 C16 W1 151(4) . . ? 
O16' C16' W1 170(4) . . ? 
O17 C17 W1 177(3) . . ? 
O18 C18 W1 174(3) . . ? 
C11 As1 P2 100.2(4) . . ? 
C11 As1 P4 93.2(4) . . ? 
P2 As1 P4 82.87(12) . . ? 
C2 P2 P3 102.0(5) . . ? 
C2 P2 As1 103.9(4) . . ? 
P3 P2 As1 87.46(14) . . ? 
C21 C2 C23 109.6(14) . . ? 
C21 C2 C22 111.5(16) . . ? 
C23 C2 C22 109.0(14) . . ? 
C21 C2 P2 106.4(12) . . ? 
C23 C2 P2 105.8(10) . . ? 
C22 C2 P2 114.2(10) . . ? 
C3 P3 P4 103.9(5) . . ? 
C3 P3 P2 104.4(5) . . ? 
P4 P3 P2 88.98(17) . . ? 
C31 C3 C32 110.2(15) . . ? 
C31 C3 C33 109.6(15) . . ? 
C32 C3 C33 109.7(15) . . ? 
C31 C3 P3 115.1(11) . . ? 
C32 C3 P3 106.0(11) . . ? 
C33 C3 P3 106.1(10) . . ? 
C4 P4 P3 105.0(4) . . ? 
C4 P4 As1 104.5(5) . . ? 
P3 P4 As1 87.59(15) . . ? 
C43 C4 C41 109.8(13) . . ? 
C43 C4 C42 111.3(12) . . ? 
C41 C4 C42 108.8(12) . . ? 
C43 C4 P4 115.1(9) . . ? 
C41 C4 P4 104.8(9) . . ? 
C42 C4 P4 106.7(10) . . ? 
 
_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              22.00 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    3.085 
_refine_diff_density_min   -2.085 
_refine_diff_density_rms    0.252