#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:34:10 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180145 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/42/7104287.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_7104287
loop_
_publ_author_name
'Stubenhofer, Markus'
'Kuntz, Christian'
'Balázs, Gábor'
'Zabel, Manfred'
'Scheer, Manfred'
_publ_section_title
;
 1,2,3-triphosphole derivatives as reactive intermediates.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1745
_journal_page_last               1747
_journal_paper_doi               10.1039/b822732b
_journal_volume                  34
_journal_year                    2009
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C32 H10 As2 O20 P4 W4, C7 H8'
_chemical_formula_sum            'C39 H18 As2 O20 P4 W4'
_chemical_formula_weight         1815.61
_chemical_name_systematic        ?
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                96.500(3)
_cell_angle_beta                 102.035(4)
_cell_angle_gamma                115.791(4)
_cell_formula_units_Z            2
_cell_length_a                   12.2685(5)
_cell_length_b                   12.4386(5)
_cell_length_c                   18.7689(7)
_cell_measurement_reflns_used    7899
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      62.0395
_cell_measurement_theta_min      2.4681
_cell_volume                     2453.6(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(1)
_diffrn_detector_area_resol_mean 10.5431
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details
;
1 omega -29.00 25.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -1.2571 45.0000 90.0000 0.0000 0.0000 54

2 omega -29.00 25.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -1.2571 45.0000 210.0000 0.0000 0.0000 54

3 omega 24.00 77.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 2.5071 45.0000 270.0000 0.0000 0.0000 53

4 omega 25.00 77.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 2.5071 45.0000 120.0000 0.0000 0.0000 52

5 omega -158.00 -105.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 -45.0000 0.0000 0.0000 0.0000 53

6 omega -117.00 -61.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 115.0000 254.0000 0.0000 0.0000 56

7 omega -109.00 -56.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 -45.0000 330.0000 0.0000 0.0000 53

8 omega -111.00 -57.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 45.0000 30.0000 0.0000 0.0000 54

9 omega -111.00 -8.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 45.0000 150.0000 0.0000 0.0000 103

10 omega -114.00 -59.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 108.0000 19.0000 0.0000 0.0000 55

11 omega -55.00 -6.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 0.0000 180.0000 0.0000 0.0000 49

12 omega -117.00 -4.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 77.0000 240.0000 0.0000 0.0000 113

13 omega 106.00 159.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 45.0000 60.0000 0.0000 0.0000 53

14 omega 74.00 111.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 -77.0000 240.0000 0.0000 0.0000 37

15 omega 57.00 135.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 45.0000 210.0000 0.0000 0.0000 78

16 omega 64.00 113.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 -77.0000 0.0000 0.0000 0.0000 49

;
_diffrn_measurement_device_type  'Oxford Diffraction Gemini Ultra'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13743
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        62.18
_diffrn_reflns_theta_max         62.18
_diffrn_reflns_theta_min         2.47
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    20.288
_exptl_absorpt_correction_T_max  0.033
_exptl_absorpt_correction_T_min  0.019
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Analytical absorption correction using crystal faces,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.458
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1668
_exptl_crystal_size_max          0.214
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.196
_refine_diff_density_max         1.834
_refine_diff_density_min         -1.488
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     626
_refine_ls_number_reflns         7523
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0735P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1047
_reflns_number_gt                6360
_reflns_number_total             7523
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b822732b.txt
_cod_data_source_block           ms11
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7104287
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W Uani 0.20769(4) -0.24296(3) 0.64053(2) 1.000 0.0260(1) . .
W2 W Uani 0.66023(4) 0.32444(3) 0.97620(2) 1.000 0.0273(1) . .
W3 W Uani 0.83552(3) 0.35000(3) 0.73204(2) 1.000 0.0239(1) . .
W4 W Uani 0.29064(3) 0.21184(3) 0.49886(2) 1.000 0.0256(1) . .
As1 As Uani 0.36612(9) 0.06849(10) 0.80715(5) 1.000 0.0385(3) . .
As2 As Uani 0.48275(8) 0.10045(8) 0.64750(4) 1.000 0.0234(3) . .
P1 P Uani 0.39465(19) -0.04776(18) 0.71455(10) 1.000 0.0232(6) . .
P3 P Uani 0.5836(2) 0.18637(18) 0.84911(10) 1.000 0.0242(6) . .
P4 P Uani 0.61927(19) 0.26683(18) 0.74871(10) 1.000 0.0229(6) . .
P6 P Uani 0.3335(2) 0.17086(19) 0.62517(11) 1.000 0.0259(6) . .
O1 O Uani 0.0307(7) -0.1206(7) 0.6446(4) 1.000 0.057(3) . .
O2 O Uani 0.2048(8) -0.3028(7) 0.8009(4) 1.000 0.060(3) . .
O3 O Uani 0.3389(7) -0.4039(6) 0.5991(4) 1.000 0.053(3) . .
O4 O Uani 0.2280(7) -0.1599(6) 0.4874(3) 1.000 0.042(2) . .
O5 O Uani -0.0486(7) -0.4846(6) 0.5638(4) 1.000 0.053(2) . .
O6 O Uani 0.8672(7) 0.5539(6) 0.9363(4) 1.000 0.053(2) . .
O7 O Uani 0.8735(7) 0.2559(7) 1.0491(4) 1.000 0.055(3) . .
O8 O Uani 0.4732(8) 0.1068(7) 1.0350(5) 1.000 0.061(3) . .
O9 O Uani 0.4469(6) 0.4036(6) 0.9249(3) 1.000 0.044(2) . .
O10 O Uani 0.7486(7) 0.4991(6) 1.1345(3) 1.000 0.044(2) . .
O11 O Uani 0.7884(6) 0.0759(6) 0.6796(3) 1.000 0.038(2) . .
O12 O Uani 0.9803(6) 0.3726(6) 0.8992(3) 1.000 0.047(2) . .
O13 O Uani 0.9094(7) 0.6328(6) 0.7765(4) 1.000 0.053(3) . .
O14 O Uani 0.6935(6) 0.3484(6) 0.5685(3) 1.000 0.044(2) . .
O15 O Uani 1.0915(6) 0.4220(6) 0.6908(3) 1.000 0.0378(19) . .
O16 O Uani 0.4701(6) 0.1214(6) 0.4447(4) 1.000 0.047(2) . .
O17 O Uani 0.5227(7) 0.4765(6) 0.5773(3) 1.000 0.047(2) . .
O18 O Uani 0.1037(7) 0.3117(6) 0.5312(4) 1.000 0.047(2) . .
O19 O Uani 0.0517(6) -0.0519(6) 0.4325(4) 1.000 0.045(2) . .
O20 O Uani 0.2457(7) 0.2775(6) 0.3419(3) 1.000 0.049(2) . .
C1 C Uani 0.5437(8) -0.0378(7) 0.7679(4) 1.000 0.025(2) . .
C2 C Uani 0.6251(7) 0.0657(7) 0.8268(4) 1.000 0.025(2) . .
C3 C Uani 0.7418(7) 0.0761(8) 0.8659(4) 1.000 0.026(3) . .
C4 C Uani 0.7741(8) -0.0136(8) 0.8468(4) 1.000 0.029(3) . .
C5 C Uani 0.6938(9) -0.1169(8) 0.7896(5) 1.000 0.035(3) . .
C6 C Uani 0.5778(8) -0.1283(7) 0.7504(4) 1.000 0.027(3) . .
C7 C Uani 0.4092(8) 0.3090(7) 0.7016(4) 1.000 0.029(3) . .
C8 C Uani 0.5348(8) 0.3573(7) 0.7455(4) 1.000 0.026(3) . .
C9 C Uani 0.5950(9) 0.4761(8) 0.7901(4) 1.000 0.032(3) . .
C10 C Uani 0.5319(9) 0.5444(8) 0.7941(5) 1.000 0.035(3) . .
C11 C Uani 0.4068(9) 0.4941(8) 0.7537(5) 1.000 0.035(3) . .
C12 C Uani 0.3459(9) 0.3780(8) 0.7070(4) 1.000 0.033(3) . .
C13 C Uani 0.0956(9) -0.1619(8) 0.6465(5) 1.000 0.036(3) . .
C14 C Uani 0.2066(9) -0.2832(8) 0.7426(5) 1.000 0.039(3) . .
C15 C Uani 0.2991(10) -0.3430(8) 0.6169(5) 1.000 0.038(3) . .
C16 C Uani 0.2204(9) -0.1910(8) 0.5422(5) 1.000 0.035(3) . .
C17 C Uani 0.0468(9) -0.3981(9) 0.5906(5) 1.000 0.036(3) . .
C18 C Uani 0.7915(9) 0.4707(9) 0.9488(5) 1.000 0.039(3) . .
C19 C Uani 0.7965(9) 0.2780(8) 1.0207(5) 1.000 0.036(3) . .
C20 C Uani 0.5377(9) 0.1831(9) 1.0117(5) 1.000 0.037(3) . .
C21 C Uani 0.5208(9) 0.3725(8) 0.9421(5) 1.000 0.034(3) . .
C22 C Uani 0.7127(9) 0.4356(8) 1.0786(5) 1.000 0.033(3) . .
C23 C Uani 0.8033(7) 0.1724(8) 0.6987(4) 1.000 0.030(3) . .
C24 C Uani 0.9253(9) 0.3617(8) 0.8388(5) 1.000 0.035(3) . .
C25 C Uani 0.8812(9) 0.5307(9) 0.7623(5) 1.000 0.035(3) . .
C26 C Uani 0.7477(8) 0.3486(7) 0.6273(5) 1.000 0.033(3) . .
C27 C Uani 0.9991(8) 0.3984(7) 0.7063(4) 1.000 0.027(2) . .
C28 C Uani 0.4078(8) 0.1526(8) 0.4657(4) 1.000 0.029(3) . .
C29 C Uani 0.4421(9) 0.3824(8) 0.5476(5) 1.000 0.034(3) . .
C30 C Uani 0.1708(9) 0.2756(8) 0.5215(5) 1.000 0.032(3) . .
C31 C Uani 0.1386(9) 0.0418(8) 0.4558(5) 1.000 0.031(3) . .
C32 C Uani 0.2621(9) 0.2535(8) 0.3989(5) 1.000 0.034(3) . .
C33 C Uani 0.1663(12) 0.1467(9) 0.9406(7) 1.000 0.054(4) . .
C34 C Uani 0.1387(14) 0.1914(18) 0.8823(11) 1.000 0.096(8) . .
C35 C Uani 0.0802(17) 0.126(3) 0.8122(11) 1.000 0.144(14) . .
C36 C Uani 0.0365(18) -0.002(3) 0.8009(12) 1.000 0.183(14) . .
C37 C Uani 0.0587(14) -0.0499(16) 0.8609(14) 1.000 0.122(8) . .
C38 C Uani 0.1206(15) 0.0189(12) 0.9297(10) 1.000 0.089(6) . .
C39 C Uani 0.2358(16) 0.2267(16) 1.0164(9) 1.000 0.101(7) . .
H1 H Uiso 0.31090 0.00100 0.86050 1.000 0.0310 . .
H2 H Uiso 0.256(8) 0.112(8) 0.655(5) 1.000 0.0310 . .
H3 H Uiso 0.52150 -0.19880 0.71130 1.000 0.0330 calc R
H4 H Uiso 0.71700 -0.17860 0.77740 1.000 0.0410 calc R
H5 H Uiso 0.85360 -0.00460 0.87340 1.000 0.0340 calc R
H6 H Uiso 0.79840 0.14550 0.90570 1.000 0.0310 calc R
H7 H Uiso 0.26020 0.34500 0.67820 1.000 0.0400 calc R
H8 H Uiso 0.36210 0.53940 0.75800 1.000 0.0420 calc R
H9 H Uiso 0.57460 0.62540 0.82450 1.000 0.0420 calc R
H10 H Uiso 0.68120 0.51080 0.81830 1.000 0.0380 calc R
H34 H Uiso 0.16270 0.27640 0.89140 1.000 0.1150 calc R
H35 H Uiso 0.06840 0.16280 0.77180 1.000 0.1720 calc R
H36 H Uiso -0.00780 -0.05370 0.75210 1.000 0.2220 calc R
H37 H Uiso 0.02840 -0.13600 0.85290 1.000 0.1470 calc R
H38 H Uiso 0.13400 -0.01690 0.97060 1.000 0.1080 calc R
H39A H Uiso 0.32460 0.24500 1.02780 1.000 0.1520 calc R
H39B H Uiso 0.19830 0.18490 1.05300 1.000 0.1520 calc R
H39C H Uiso 0.23050 0.30340 1.01860 1.000 0.1520 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 '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'
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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
P1 W1 C13 89.4(3) . . . yes
P1 W1 C14 83.5(3) . . . yes
P1 W1 C15 99.0(3) . . . yes
P1 W1 C16 92.3(3) . . . yes
P1 W1 C17 172.9(3) . . . yes
C13 W1 C14 93.2(4) . . . yes
C13 W1 C15 170.2(4) . . . yes
C13 W1 C16 87.0(4) . . . yes
C13 W1 C17 86.0(4) . . . yes
C14 W1 C15 92.8(4) . . . yes
C14 W1 C16 175.8(4) . . . yes
C14 W1 C17 91.3(4) . . . yes
C15 W1 C16 87.6(4) . . . yes
C15 W1 C17 86.1(4) . . . yes
C16 W1 C17 92.9(4) . . . yes
P3 W2 C18 94.2(3) . . . yes
P3 W2 C19 96.3(3) . . . yes
P3 W2 C20 89.6(3) . . . yes
P3 W2 C21 88.5(3) . . . yes
P3 W2 C22 176.8(3) . . . yes
C18 W2 C19 90.2(4) . . . yes
C18 W2 C20 175.7(4) . . . yes
C18 W2 C21 92.8(4) . . . yes
C18 W2 C22 87.3(4) . . . yes
C19 W2 C20 87.3(4) . . . yes
C19 W2 C21 174.2(4) . . . yes
C19 W2 C22 86.5(4) . . . yes
C20 W2 C21 89.4(4) . . . yes
C20 W2 C22 89.0(4) . . . yes
C21 W2 C22 88.7(4) . . . yes
P4 W3 C23 88.9(3) . . . yes
P4 W3 C24 95.8(3) . . . yes
P4 W3 C25 95.9(3) . . . yes
P4 W3 C26 84.2(3) . . . yes
P4 W3 C27 172.3(2) . . . yes
C23 W3 C24 91.5(3) . . . yes
C23 W3 C25 175.1(4) . . . yes
C23 W3 C26 91.9(3) . . . yes
C23 W3 C27 85.1(4) . . . yes
C24 W3 C25 88.8(4) . . . yes
C24 W3 C26 176.6(4) . . . yes
C24 W3 C27 89.2(4) . . . yes
C25 W3 C26 87.8(4) . . . yes
C25 W3 C27 90.0(4) . . . yes
C26 W3 C27 91.1(4) . . . yes
P6 W4 C28 93.8(2) . . . yes
P6 W4 C29 84.9(3) . . . yes
P6 W4 C30 92.1(3) . . . yes
P6 W4 C31 92.5(3) . . . yes
P6 W4 C32 177.2(3) . . . yes
C28 W4 C29 90.0(4) . . . yes
C28 W4 C30 174.1(3) . . . yes
C28 W4 C31 91.5(4) . . . yes
C28 W4 C32 86.6(4) . . . yes
C29 W4 C30 90.2(4) . . . yes
C29 W4 C31 177.0(4) . . . yes
C29 W4 C32 92.4(4) . . . yes
C30 W4 C31 88.6(4) . . . yes
C30 W4 C32 87.5(4) . . . yes
C31 W4 C32 90.3(4) . . . yes
P1 As1 P3 87.57(9) . . . yes
P1 As2 P4 98.68(7) . . . yes
P1 As2 P6 101.00(9) . . . yes
P4 As2 P6 92.71(9) . . . yes
P3 As1 H1 114.00 . . . no
P1 As1 H1 114.00 . . . no
W1 P1 C1 123.7(3) . . . yes
As1 P1 As2 99.96(9) . . . yes
As1 P1 C1 98.5(3) . . . yes
As2 P1 C1 96.9(3) . . . yes
W1 P1 As1 117.09(11) . . . yes
W1 P1 As2 116.21(8) . . . yes
W2 P3 P4 120.23(10) . . . yes
W2 P3 As1 113.23(10) . . . yes
As1 P3 C2 98.2(3) . . . yes
P4 P3 C2 96.4(3) . . . yes
W2 P3 C2 124.1(3) . . . yes
As1 P3 P4 100.00(10) . . . yes
W3 P4 C8 121.5(3) . . . yes
W3 P4 As2 107.51(9) . . . yes
W3 P4 P3 119.20(11) . . . yes
P3 P4 C8 102.1(3) . . . yes
As2 P4 C8 100.7(3) . . . yes
As2 P4 P3 102.96(10) . . . yes
W4 P6 C7 113.7(3) . . . yes
W4 P6 As2 113.60(10) . . . yes
As2 P6 C7 100.6(3) . . . yes
W4 P6 H2 127(5) . . . no
C7 P6 H2 94(4) . . . no
As2 P6 H2 104(5) . . . no
P1 C1 C6 121.6(6) . . . yes
P1 C1 C2 118.3(7) . . . yes
C2 C1 C6 120.1(9) . . . no
P3 C2 C1 120.6(7) . . . yes
P3 C2 C3 120.8(6) . . . yes
C1 C2 C3 118.5(8) . . . no
C2 C3 C4 120.4(8) . . . no
C3 C4 C5 121.7(9) . . . no
C4 C5 C6 118.5(9) . . . no
C1 C6 C5 120.9(8) . . . no
C8 C7 C12 119.3(7) . . . no
P6 C7 C8 122.2(7) . . . yes
P6 C7 C12 117.6(7) . . . yes
C7 C8 C9 118.8(9) . . . no
P4 C8 C7 121.9(6) . . . yes
P4 C8 C9 119.2(8) . . . yes
C8 C9 C10 121.4(10) . . . no
C9 C10 C11 119.5(9) . . . no
C10 C11 C12 120.4(10) . . . no
C7 C12 C11 120.6(10) . . . no
W1 C13 O1 175.2(8) . . . yes
W1 C14 O2 177.6(10) . . . yes
W1 C15 O3 173.8(9) . . . yes
W1 C16 O4 178.9(9) . . . yes
W1 C17 O5 176.5(10) . . . yes
W2 C18 O6 177.4(8) . . . yes
W2 C19 O7 176.3(8) . . . yes
W2 C20 O8 176.6(8) . . . yes
W2 C21 O9 177.3(7) . . . yes
W2 C22 O10 175.9(10) . . . yes
W3 C23 O11 178.1(8) . . . yes
W3 C24 O12 177.2(8) . . . yes
W3 C25 O13 176.7(9) . . . yes
W3 C26 O14 177.1(9) . . . yes
W3 C27 O15 177.7(7) . . . yes
W4 C28 O16 177.0(7) . . . yes
W4 C29 O17 176.5(9) . . . yes
W4 C30 O18 177.2(8) . . . yes
W4 C31 O19 178.1(10) . . . yes
W4 C32 O20 179.8(14) . . . yes
C2 C3 H6 120.00 . . . no
C4 C3 H6 120.00 . . . no
C3 C4 H5 119.00 . . . no
C5 C4 H5 119.00 . . . no
C4 C5 H4 121.00 . . . no
C6 C5 H4 121.00 . . . no
C1 C6 H3 120.00 . . . no
C5 C6 H3 120.00 . . . no
C8 C9 H10 119.00 . . . no
C10 C9 H10 119.00 . . . no
C9 C10 H9 120.00 . . . no
C11 C10 H9 120.00 . . . no
C10 C11 H8 120.00 . . . no
C12 C11 H8 120.00 . . . no
C7 C12 H7 120.00 . . . no
C11 C12 H7 120.00 . . . no
C34 C33 C38 118.5(14) . . . no
C34 C33 C39 121.4(14) . . . no
C38 C33 C39 119.9(13) . . . no
C33 C34 C35 125(2) . . . no
C34 C35 C36 116(2) . . . no
C35 C36 C37 119(2) . . . no
C36 C37 C38 123(2) . . . no
C33 C38 C37 118.2(16) . . . no
C33 C34 H34 118.00 . . . no
C35 C34 H34 118.00 . . . no
C34 C35 H35 122.00 . . . no
C36 C35 H35 122.00 . . . no
C35 C36 H36 120.00 . . . no
C37 C36 H36 121.00 . . . no
C36 C37 H37 119.00 . . . no
C38 C37 H37 119.00 . . . no
C33 C38 H38 121.00 . . . no
C37 C38 H38 121.00 . . . no
C33 C39 H39A 109.00 . . . no
C33 C39 H39B 109.00 . . . no
C33 C39 H39C 109.00 . . . no
H39A C39 H39B 110.00 . . . no
H39A C39 H39C 110.00 . . . no
H39B C39 H39C 109.00 . . . 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
W1 P1 2.479(2) . . yes
W1 C13 2.041(12) . . yes
W1 C14 2.035(9) . . yes
W1 C15 2.074(12) . . yes
W1 C16 2.037(9) . . yes
W1 C17 2.001(10) . . yes
W2 P3 2.5011(19) . . yes
W2 C18 2.043(11) . . yes
W2 C19 2.048(11) . . yes
W2 C20 2.044(11) . . yes
W2 C21 2.053(12) . . yes
W2 C22 2.032(9) . . yes
W3 P4 2.498(3) . . yes
W3 C23 2.062(9) . . yes
W3 C24 2.031(9) . . yes
W3 C25 2.042(10) . . yes
W3 C26 2.029(9) . . yes
W3 C27 2.011(10) . . yes
W4 P6 2.479(2) . . yes
W4 C28 2.046(10) . . yes
W4 C29 2.052(10) . . yes
W4 C30 2.042(12) . . yes
W4 C31 2.039(10) . . yes
W4 C32 2.004(9) . . yes
As1 P1 2.315(2) . . yes
As1 P3 2.312(3) . . yes
As2 P1 2.347(2) . . yes
As2 P4 2.337(2) . . yes
As2 P6 2.335(3) . . yes
As1 H1 1.4600 . . no
P1 C1 1.837(10) . . yes
P3 P4 2.266(3) . . yes
P3 C2 1.816(9) . . yes
P4 C8 1.830(10) . . yes
P6 C7 1.836(8) . . yes
P6 H2 1.21(10) . . no
O1 C13 1.117(15) . . yes
O2 C14 1.150(12) . . yes
O3 C15 1.121(15) . . yes
O4 C16 1.147(11) . . yes
O5 C17 1.148(13) . . yes
O6 C18 1.139(13) . . yes
O7 C19 1.141(14) . . yes
O8 C20 1.142(14) . . yes
O9 C21 1.135(14) . . yes
O10 C22 1.112(11) . . yes
O11 C23 1.135(11) . . yes
O12 C24 1.151(11) . . yes
O13 C25 1.143(13) . . yes
O14 C26 1.163(11) . . yes
O15 C27 1.150(13) . . yes
O16 C28 1.113(13) . . yes
O17 C29 1.129(12) . . yes
O18 C30 1.131(15) . . yes
O19 C31 1.138(12) . . yes
O20 C32 1.144(11) . . yes
C1 C6 1.391(13) . . no
C1 C2 1.406(11) . . no
C2 C3 1.409(13) . . no
C3 C4 1.373(14) . . no
C4 C5 1.385(12) . . no
C5 C6 1.397(15) . . no
C7 C12 1.394(15) . . no
C7 C8 1.403(13) . . no
C8 C9 1.394(12) . . no
C9 C10 1.382(16) . . no
C10 C11 1.376(16) . . no
C11 C12 1.383(12) . . no
C3 H6 0.9500 . . no
C4 H5 0.9500 . . no
C5 H4 0.9500 . . no
C6 H3 0.9500 . . no
C9 H10 0.9500 . . no
C10 H9 0.9500 . . no
C11 H8 0.9500 . . no
C12 H7 0.9500 . . no
C33 C34 1.33(2) . . no
C33 C38 1.409(18) . . no
C33 C39 1.48(2) . . no
C34 C35 1.33(3) . . no
C35 C36 1.41(5) . . no
C36 C37 1.37(4) . . no
C37 C38 1.32(3) . . no
C34 H34 0.9500 . . no
C35 H35 0.9500 . . no
C36 H36 0.9500 . . no
C37 H37 0.9500 . . no
C38 H38 0.9500 . . no
C39 H39A 0.9800 . . no
C39 H39B 0.9800 . . no
C39 H39C 0.9800 . . 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
W4 O1 3.882(9) . 2_556 no
As1 C7 3.682(8) . . no
As1 C36 3.72(3) . . no
As2 O16 3.416(8) . 2_656 no
As1 H2 3.11(9) . . no
P1 C13 3.195(12) . . no
P1 C14 3.025(10) . . no
P1 C15 3.472(10) . . no
P1 C16 3.272(9) . . no
P3 C18 3.343(10) . . no
P3 C19 3.401(10) . . no
P3 C20 3.218(10) . . no
P3 C21 3.193(11) . . no
P4 C23 3.209(10) . . no
P4 C24 3.375(12) . . no
P4 C25 3.385(11) . . no
P4 C26 3.056(10) . . no
P6 C28 3.317(9) . . no
P6 C29 3.073(9) . . no
P6 C30 3.269(11) . . no
P6 C31 3.276(10) . . no
O1 C36 3.10(2) . . no
O1 O20 3.175(12) . 2_556 no
O1 W4 3.882(9) . 2_556 no
O1 O19 3.115(11) . 2_556 no
O1 C32 3.100(15) . 2_556 no
O1 C30 3.290(12) . 2_556 no
O1 C31 3.063(14) . 2_556 no
O2 O7 3.230(12) . 2_657 no
O2 C22 3.196(13) . 2_657 no
O2 O10 3.059(11) . 2_657 no
O2 C19 3.332(12) . 2_657 no
O3 C11 3.387(12) . 1_545 no
O4 O14 3.059(11) . 2_656 no
O4 O19 3.075(12) . . no
O4 C31 3.211(13) . . no
O4 C23 3.411(9) . 2_656 no
O4 C26 3.157(12) . 2_656 no
O5 C26 3.043(12) . 1_445 no
O5 O18 3.145(10) . 2_556 no
O5 O14 2.962(11) . 1_445 no
O5 C27 3.253(10) . 1_445 no
O5 O5 2.947(11) . 2_546 no
O5 C17 3.102(12) . 2_546 no
O6 C25 3.293(12) . . no
O6 O12 3.055(9) . 2_767 no
O6 O12 3.204(11) . . no
O6 C24 3.257(13) . . no
O6 O7 2.955(12) . 2_767 no
O7 O6 2.955(12) . 2_767 no
O7 O2 3.230(12) . 2_657 no
O8 O8 3.211(13) . 2_657 no
O9 C21 3.346(12) . 2_667 no
O9 C9 3.395(11) . . no
O9 C10 3.261(11) . . no
O9 C22 3.350(14) . 2_667 no
O9 O10 3.190(11) . 2_667 no
O9 C34 3.39(2) . . no
O9 O9 3.101(8) . 2_667 no
O10 O12 3.240(12) . 2_767 no
O10 C11 3.133(13) . 2_667 no
O10 O9 3.190(11) . 2_667 no
O10 O2 3.059(11) . 2_657 no
O10 O15 3.237(8) . 2_767 no
O11 C6 3.373(11) . . no
O11 O16 3.220(10) . 2_656 no
O11 C31 3.264(12) . 2_656 no
O11 C28 3.296(10) . 2_656 no
O11 C5 3.326(11) . . no
O11 O19 3.233(11) . 2_656 no
O12 O6 3.204(11) . . no
O12 O10 3.240(12) . 2_767 no
O12 C18 3.231(12) . 2_767 no
O12 C18 3.290(14) . . no
O12 C22 3.369(13) . 2_767 no
O12 O6 3.055(9) . 2_767 no
O13 O20 3.233(11) . 2_666 no
O14 C16 3.326(13) . 2_656 no
O14 O17 3.154(12) . . no
O14 C28 3.260(12) . . no
O14 O4 3.059(11) . 2_656 no
O14 C29 3.243(14) . . no
O14 O16 3.164(10) . . no
O14 O5 2.962(11) . 1_665 no
O15 O18 3.211(10) . 1_655 no
O15 O10 3.237(8) . 2_767 no
O15 C17 3.230(12) . 1_665 no
O15 C12 3.356(14) . 1_655 no
O15 C14 3.240(11) . 1_665 no
O16 As2 3.416(8) . 2_656 no
O16 O14 3.164(10) . . no
O16 O11 3.220(10) . 2_656 no
O17 O14 3.154(12) . . no
O17 C7 3.414(10) . . no
O17 C32 3.147(12) . 2_666 no
O17 O20 3.053(10) . 2_666 no
O17 C29 3.075(11) . 2_666 no
O17 O17 3.011(8) . 2_666 no
O18 C17 3.211(13) . 2_556 no
O18 O19 3.197(10) . 2_556 no
O18 O5 3.145(10) . 2_556 no
O18 O15 3.211(10) . 1_455 no
O19 O1 3.115(11) . 2_556 no
O19 O11 3.233(11) . 2_656 no
O19 O4 3.075(12) . . no
O19 O18 3.197(10) . 2_556 no
O19 C30 3.295(12) . 2_556 no
O20 O13 3.233(11) . 2_666 no
O20 C5 3.402(13) . 2_656 no
O20 O17 3.053(10) . 2_666 no
O20 O1 3.175(12) . 2_556 no
O1 H36 2.3100 . . no
O3 H3 2.7900 . . no
O6 H10 2.6400 . . no
O6 H39C 2.6900 . 2_667 no
O7 H38 2.9100 . 2_657 no
O7 H37 2.8800 . 2_657 no
O7 H6 2.6500 . . no
O10 H8 2.6300 . 2_667 no
O10 H34 2.6600 . 2_667 no
O12 H6 2.7700 . . no
O13 H37 2.6500 . 1_665 no
O13 H10 2.8700 . . no
O15 H8 2.8900 . 1_655 no
O15 H7 2.6700 . 1_655 no
O18 H7 2.8800 . . no
O20 H4 2.6500 . 2_656 no
C2 C23 3.565(12) . . no
C3 C19 3.357(12) . . no
C3 C23 3.592(11) . . no
C3 C24 3.446(13) . . no
C4 C36 3.45(3) . 1_655 no
C5 O11 3.326(11) . . no
C5 O20 3.402(13) . 2_656 no
C6 O11 3.373(11) . . no
C6 C15 3.474(13) . . no
C7 O17 3.414(10) . . no
C7 As1 3.682(8) . . no
C9 O9 3.395(11) . . no
C9 C25 3.440(17) . . no
C9 C18 3.447(13) . . no
C9 C21 3.395(12) . . no
C10 O9 3.261(11) . . no
C11 O10 3.133(13) . 2_667 no
C11 O3 3.387(12) . 1_565 no
C12 C29 3.435(13) . . no
C12 O15 3.356(14) . 1_455 no
C12 C30 3.443(12) . . no
C13 P1 3.195(12) . . no
C13 As1 3.730(10) . . no
C13 C17 2.757(14) . . no
C13 C14 2.960(14) . . no
C13 C16 2.807(15) . . no
C14 C27 3.539(12) . 1_445 no
C14 O15 3.240(11) . 1_445 no
C14 C13 2.960(14) . . no
C14 P1 3.025(10) . . no
C14 C17 2.886(13) . . no
C14 C15 2.977(15) . . no
C15 P1 3.472(10) . . no
C15 C6 3.474(13) . . no
C15 C14 2.977(15) . . no
C15 C16 2.846(14) . . no
C15 C17 2.781(18) . . no
C16 P1 3.272(9) . . no
C16 C13 2.807(15) . . no
C16 C17 2.926(14) . . no
C16 O14 3.326(13) . 2_656 no
C16 As2 3.603(10) . . no
C16 C15 2.846(14) . . no
C17 C16 2.926(14) . . no
C17 O15 3.230(12) . 1_445 no
C17 C14 2.886(13) . . no
C17 C15 2.781(18) . . no
C17 O18 3.211(13) . 2_556 no
C17 C13 2.757(14) . . no
C17 C27 3.457(13) . 1_445 no
C17 O5 3.102(12) . 2_546 no
C18 P3 3.343(10) . . no
C18 C19 2.898(14) . . no
C18 C21 2.966(17) . . no
C18 C9 3.447(13) . . no
C18 C24 3.393(16) . . no
C18 O12 3.290(14) . . no
C18 C22 2.814(14) . . no
C18 O12 3.231(12) . 2_767 no
C19 O2 3.332(12) . 2_657 no
C19 C3 3.357(12) . . no
C19 P3 3.401(10) . . no
C19 C22 2.796(15) . . no
C19 C20 2.824(17) . . no
C19 C18 2.898(14) . . no
C20 P3 3.218(10) . . no
C20 C19 2.824(17) . . no
C20 C21 2.882(14) . . no
C20 C22 2.858(14) . . no
C20 As1 3.739(9) . . no
C21 P3 3.193(11) . . no
C21 O9 3.346(12) . 2_667 no
C21 As1 3.728(9) . . no
C21 C9 3.395(12) . . no
C21 C18 2.966(17) . . no
C21 C22 2.854(14) . . no
C21 C20 2.882(14) . . no
C22 C18 2.814(14) . . no
C22 C19 2.796(15) . . no
C22 C21 2.854(14) . . no
C22 O9 3.350(14) . 2_667 no
C22 O12 3.369(13) . 2_767 no
C22 O2 3.196(13) . 2_657 no
C22 C20 2.858(14) . . no
C23 P4 3.209(10) . . no
C23 C3 3.592(11) . . no
C23 O4 3.411(9) . 2_656 no
C23 As2 3.515(10) . . no
C23 C27 2.754(13) . . no
C23 C26 2.941(13) . . no
C23 C2 3.565(12) . . no
C23 C24 2.931(12) . . no
C24 C18 3.393(16) . . no
C24 C3 3.446(13) . . no
C24 O6 3.257(13) . . no
C24 C27 2.837(13) . . no
C24 P4 3.375(12) . . no
C24 C25 2.850(14) . . no
C24 C23 2.931(12) . . no
C25 C27 2.867(15) . . no
C25 O6 3.293(12) . . no
C25 P4 3.385(11) . . no
C25 C9 3.440(17) . . no
C25 C26 2.824(13) . . no
C25 C24 2.850(14) . . no
C26 C23 2.941(13) . . no
C26 P4 3.056(10) . . no
C26 C27 2.884(14) . . no
C26 O5 3.043(12) . 1_665 no
C26 O4 3.157(12) . 2_656 no
C26 C25 2.824(13) . . no
C26 As2 3.505(9) . . no
C27 C23 2.754(13) . . no
C27 C26 2.884(14) . . no
C27 C25 2.867(15) . . no
C27 C14 3.539(12) . 1_665 no
C27 O5 3.253(10) . 1_665 no
C27 C24 2.837(13) . . no
C27 C17 3.457(13) . 1_665 no
C28 C31 2.927(16) . . no
C28 As2 3.553(8) . . no
C28 C32 2.778(15) . . no
C28 O14 3.260(12) . . no
C28 C29 2.898(13) . . no
C28 O11 3.296(10) . 2_656 no
C28 P6 3.317(9) . . no
C29 O14 3.243(14) . . no
C29 C32 2.928(13) . . no
C29 C12 3.435(13) . . no
C29 C29 3.521(13) . 2_666 no
C29 C28 2.898(13) . . no
C29 C7 3.180(12) . . no
C29 P6 3.073(9) . . no
C29 O17 3.075(11) . 2_666 no
C29 C30 2.900(16) . . no
C30 C29 2.900(16) . . no
C30 C31 2.849(14) . . no
C30 P6 3.269(11) . . no
C30 C32 2.797(14) . . no
C30 C12 3.443(12) . . no
C30 O19 3.295(12) . 2_556 no
C30 O1 3.290(12) . 2_556 no
C31 O1 3.063(14) . 2_556 no
C31 C30 2.849(14) . . no
C31 P6 3.276(10) . . no
C31 O4 3.211(13) . . no
C31 O11 3.264(12) . 2_656 no
C31 C32 2.865(13) . . no
C31 C28 2.927(16) . . no
C32 C31 2.865(13) . . no
C32 C29 2.928(13) . . no
C32 O1 3.100(15) . 2_556 no
C32 O17 3.147(12) . 2_666 no
C32 C28 2.778(15) . . no
C32 C30 2.797(14) . . no
C34 O9 3.39(2) . . no
C36 O1 3.10(2) . . no
C36 C4 3.45(3) . 1_455 no
C36 As1 3.72(3) . . no
C4 H39B 3.0800 . 2_657 no
C13 H36 3.0500 . . no
C13 H2 3.07(9) . . no
C15 H3 2.6100 . . no
C18 H39C 2.9500 . 2_667 no
C18 H10 2.7500 . . no
C19 H6 2.5700 . . no
C20 H39A 3.0900 . . no
C24 H6 3.0300 . . no
C25 H10 2.7900 . . no
C30 H7 2.8000 . . no
C35 H5 3.0800 . 1_455 no
C36 H5 2.8500 . 1_455 no
C37 H1 2.8800 . . no
C37 H5 2.8600 . 1_455 no
C38 H1 2.9700 . . no
C38 H5 3.1000 . 1_455 no
H1 C38 2.9700 . . no
H1 C37 2.8800 . . no
H2 As1 3.11(9) . . no
H2 C13 3.07(9) . . no
H3 C15 2.6100 . . no
H3 O3 2.7900 . . no
H4 O20 2.6500 . 2_656 no
H5 C35 3.0800 . 1_655 no
H5 C36 2.8500 . 1_655 no
H5 C38 3.1000 . 1_655 no
H5 C37 2.8600 . 1_655 no
H6 O12 2.7700 . . no
H6 O7 2.6500 . . no
H6 C19 2.5700 . . no
H6 C24 3.0300 . . no
H7 O15 2.6700 . 1_455 no
H7 C30 2.8000 . . no
H7 O18 2.8800 . . no
H8 O15 2.8900 . 1_455 no
H8 O10 2.6300 . 2_667 no
H10 O6 2.6400 . . no
H10 O13 2.8700 . . no
H10 C18 2.7500 . . no
H10 C25 2.7900 . . no
H34 H39C 2.2900 . . no
H34 O10 2.6600 . 2_667 no
H36 O1 2.3100 . . no
H36 C13 3.0500 . . no
H37 O13 2.6500 . 1_445 no
H37 O7 2.8800 . 2_657 no
H38 H39B 2.4900 . . no
H38 O7 2.9100 . 2_657 no
H39A C20 3.0900 . . no
H39B H38 2.4900 . . no
H39B C4 3.0800 . 2_657 no
H39C H34 2.2900 . . no
H39C O6 2.6900 . 2_667 no
H39C C18 2.9500 . 2_667 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C36 H36 O1 0.9500 2.3100 3.10(2) 140.00 . yes
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
C13 W1 P1 As1 35.6(3) . . . . no
C14 W1 P1 As1 -57.7(3) . . . . no
C15 W1 P1 As1 -149.5(3) . . . . no
C16 W1 P1 As1 122.6(3) . . . . no
C13 W1 P1 As2 -82.3(3) . . . . no
C14 W1 P1 As2 -175.6(3) . . . . no
C15 W1 P1 As2 92.6(3) . . . . no
C16 W1 P1 As2 4.6(3) . . . . no
C13 W1 P1 C1 158.4(4) . . . . no
C14 W1 P1 C1 65.1(5) . . . . no
C15 W1 P1 C1 -26.7(4) . . . . no
C16 W1 P1 C1 -114.7(5) . . . . no
C20 W2 P3 P4 161.9(4) . . . . no
C21 W2 P3 P4 72.5(3) . . . . no
C18 W2 P3 C2 103.2(5) . . . . no
C19 W2 P3 C2 12.6(5) . . . . no
C20 W2 P3 C2 -74.6(5) . . . . no
C21 W2 P3 C2 -164.1(4) . . . . no
C18 W2 P3 P4 -20.3(4) . . . . no
C19 W2 P3 P4 -110.9(3) . . . . no
C20 W2 P3 As1 43.9(3) . . . . no
C18 W2 P3 As1 -138.2(3) . . . . no
C19 W2 P3 As1 131.1(3) . . . . no
C21 W2 P3 As1 -45.5(3) . . . . no
C25 W3 P4 P3 -106.0(3) . . . . no
C23 W3 P4 P3 74.8(2) . . . . no
C24 W3 P4 P3 -16.6(3) . . . . no
C26 W3 P4 C8 -64.6(4) . . . . no
C25 W3 P4 As2 137.6(3) . . . . no
C23 W3 P4 As2 -41.7(2) . . . . no
C24 W3 P4 As2 -133.0(3) . . . . no
C26 W3 P4 P3 166.8(3) . . . . no
C26 W3 P4 As2 50.4(3) . . . . no
C25 W3 P4 C8 22.6(4) . . . . no
C23 W3 P4 C8 -156.6(3) . . . . no
C24 W3 P4 C8 112.0(4) . . . . no
C31 W4 P6 As2 94.7(3) . . . . no
C30 W4 P6 As2 -176.7(3) . . . . no
C28 W4 P6 As2 3.0(3) . . . . no
C28 W4 P6 C7 117.2(5) . . . . no
C29 W4 P6 As2 -86.7(3) . . . . no
C31 W4 P6 C7 -151.1(5) . . . . no
C29 W4 P6 C7 27.6(5) . . . . no
C30 W4 P6 C7 -62.4(5) . . . . no
P3 As1 P1 As2 -64.57(9) . . . . no
P1 As1 P3 W2 -166.64(9) . . . . no
P1 As1 P3 P4 64.15(10) . . . . no
P1 As1 P3 C2 -33.9(2) . . . . no
P3 As1 P1 W1 169.03(10) . . . . no
P3 As1 P1 C1 34.0(3) . . . . no
P4 As2 P6 C7 -2.1(3) . . . . no
P1 As2 P4 P3 -0.46(13) . . . . no
P1 As2 P6 C7 97.3(3) . . . . no
P4 As2 P1 W1 168.86(11) . . . . no
P6 As2 P1 W1 74.36(11) . . . . no
P1 As2 P6 W4 -140.81(9) . . . . no
P4 As2 P6 W4 119.80(9) . . . . no
P1 As2 P4 W3 126.24(9) . . . . no
P6 As2 P4 W3 -132.20(9) . . . . no
P6 As2 P1 C1 -152.6(3) . . . . no
P6 As2 P4 P3 101.11(12) . . . . no
P1 As2 P4 C8 -105.7(3) . . . . no
P6 As2 P4 C8 -4.1(3) . . . . no
P4 As2 P1 As1 41.86(11) . . . . no
P6 As2 P1 As1 -52.64(10) . . . . no
P4 As2 P1 C1 -58.1(3) . . . . no
W1 P1 C1 C2 -158.3(5) . . . . no
As2 P1 C1 C2 73.7(7) . . . . no
W1 P1 C1 C6 22.9(8) . . . . no
As1 P1 C1 C2 -27.5(7) . . . . no
As2 P1 C1 C6 -105.1(7) . . . . no
As1 P1 C1 C6 153.7(7) . . . . no
W2 P3 P4 As2 -165.62(11) . . . . no
W2 P3 P4 W3 75.54(16) . . . . no
C2 P3 P4 As2 58.4(3) . . . . no
C2 P3 P4 C8 162.5(4) . . . . no
W2 P3 P4 C8 -61.5(3) . . . . no
As1 P3 P4 W3 -159.97(9) . . . . no
As1 P3 P4 As2 -41.13(12) . . . . no
As1 P3 P4 C8 63.0(3) . . . . no
C2 P3 P4 W3 -60.5(3) . . . . no
As1 P3 C2 C1 27.7(7) . . . . no
P4 P3 C2 C1 -73.4(7) . . . . no
W2 P3 C2 C3 -29.7(8) . . . . no
As1 P3 C2 C3 -155.0(6) . . . . no
P4 P3 C2 C3 103.9(7) . . . . no
W2 P3 C2 C1 153.1(5) . . . . no
W3 P4 C8 C7 131.1(6) . . . . no
As2 P4 C8 C9 -169.8(6) . . . . no
P3 P4 C8 C9 84.3(7) . . . . no
W3 P4 C8 C9 -51.4(7) . . . . no
As2 P4 C8 C7 12.7(7) . . . . no
P3 P4 C8 C7 -93.2(7) . . . . no
W4 P6 C7 C8 -110.7(6) . . . . no
As2 P6 C7 C8 11.1(7) . . . . no
W4 P6 C7 C12 58.4(8) . . . . no
As2 P6 C7 C12 -179.9(6) . . . . no
P1 C1 C2 P3 -0.2(9) . . . . no
C6 C1 C2 P3 178.7(6) . . . . no
C6 C1 C2 C3 1.4(12) . . . . no
P1 C1 C6 C5 177.4(7) . . . . no
C2 C1 C6 C5 -1.4(13) . . . . no
P1 C1 C2 C3 -177.5(6) . . . . no
C1 C2 C3 C4 -0.4(12) . . . . no
P3 C2 C3 C4 -177.7(7) . . . . no
C2 C3 C4 C5 -0.6(13) . . . . no
C3 C4 C5 C6 0.6(14) . . . . no
C4 C5 C6 C1 0.4(13) . . . . no
C8 C7 C12 C11 1.6(12) . . . . no
P6 C7 C8 P4 -17.4(10) . . . . no
P6 C7 C8 C9 165.2(6) . . . . no
C12 C7 C8 P4 173.8(6) . . . . no
C12 C7 C8 C9 -3.7(12) . . . . no
P6 C7 C12 C11 -167.8(7) . . . . no
P4 C8 C9 C10 -174.8(7) . . . . no
C7 C8 C9 C10 2.7(12) . . . . no
C8 C9 C10 C11 0.5(13) . . . . no
C9 C10 C11 C12 -2.7(14) . . . . no
C10 C11 C12 C7 1.7(14) . . . . no
C38 C33 C34 C35 -6(3) . . . . no
C39 C33 C34 C35 178(2) . . . . no
C34 C33 C38 C37 4(3) . . . . no
C39 C33 C38 C37 -180.0(18) . . . . no
C33 C34 C35 C36 5(4) . . . . no
C34 C35 C36 C37 -1(4) . . . . no
C35 C36 C37 C38 -1(4) . . . . no
C36 C37 C38 C33 -1(3) . . . . no
