#------------------------------------------------------------------------------
#$Date: 2020-08-06 16:52:52 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254954 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/47/7704747.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_7704747
loop_
_publ_author_name
'Gericke, Robert'
'Wagler, Jörg'
_publ_section_title
;
 (2-Pyridyloxy)arsines as ligands in transition metal chemistry: a
 stepwise As(iii) → As(ii) → As(i) reduction.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10042
_journal_page_last               10051
_journal_paper_doi               10.1039/d0dt01538e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C15 H12 As N3 O3'
_chemical_formula_sum            'C15 H12 As N3 O3'
_chemical_formula_weight         357.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.146(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.4502(12)
_cell_length_b                   7.2230(3)
_cell_length_c                   13.5042(5)
_cell_measurement_reflns_used    16046
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      1.32
_cell_volume                     3007.8(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19975
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        27.173
_diffrn_reflns_theta_max         27.173
_diffrn_reflns_theta_min         1.321
_exptl_absorpt_coefficient_mu    2.276
_exptl_absorpt_correction_T_max  0.6582
_exptl_absorpt_correction_T_min  0.5424
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   XShape
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       polyeder
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.215
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.256
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         3338
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.249
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0127P)²+7.7496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.0954
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3005
_reflns_number_total             3338
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01538e2.cif
_cod_data_source_block           RGP09802
_cod_depositor_comments
'Adding full bibliography for 7704746--7704751.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7704747
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.463
_shelx_estimated_absorpt_t_max   0.548
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.11817(2) 0.03868(14) 0.26837(8) 0.03496(19) Uani 0.649(3) 1 d . . P A
1
O1 O 0.06482(10) 0.1062(5) 0.1857(2) 0.0455(8) Uani 0.649(3) 1 d . . P A 1
O2 O 0.13852(9) 0.0094(4) 0.1574(2) 0.0390(8) Uani 0.649(3) 1 d . . P A 1
O3 O 0.13506(10) 0.2811(4) 0.2779(2) 0.0380(7) Uani 0.649(3) 1 d . . P A 1
N1 N 0.05636(14) -0.2055(7) 0.1733(4) 0.0536(12) Uani 0.649(3) 1 d D . P A 1
C1 C 0.03827(14) -0.0422(7) 0.1595(4) 0.0408(12) Uani 0.649(3) 1 d D . P A 1
C2 C -0.00679(16) -0.0160(9) 0.1188(5) 0.0538(15) Uani 0.649(3) 1 d D . P A 1
H2 H -0.0193 0.1042 0.1112 0.065 Uiso 0.649(3) 1 calc R U P A 1
C3 C -0.03181(16) -0.1710(9) 0.0905(5) 0.0573(16) Uani 0.649(3) 1 d D . P A 1
H3 H -0.0623 -0.1597 0.0602 0.069 Uiso 0.649(3) 1 calc R U P A 1
C4 C -0.0126(2) -0.3458(10) 0.1060(6) 0.071(2) Uani 0.649(3) 1 d D . P A 1
H4 H -0.0299 -0.4541 0.0867 0.086 Uiso 0.649(3) 1 calc R U P A 1
C5 C 0.0320(2) -0.3592(9) 0.1501(6) 0.0688(18) Uani 0.649(3) 1 d D . P A 1
H5 H 0.0453 -0.4775 0.1639 0.083 Uiso 0.649(3) 1 calc R U P A 1
N2 N 0.20132(14) -0.0380(8) 0.2875(3) 0.0424(10) Uani 0.649(3) 1 d D . P A 1
C6 C 0.18124(15) -0.0324(8) 0.1861(4) 0.0379(12) Uani 0.649(3) 1 d D . P A 1
C7 C 0.20142(18) -0.0636(11) 0.1117(4) 0.0426(13) Uani 0.649(3) 1 d D . P A 1
H7 H 0.1858 -0.0621 0.0394 0.051 Uiso 0.649(3) 1 calc R U P A 1
C8 C 0.2463(2) -0.0976(14) 0.1480(5) 0.0517(17) Uani 0.649(3) 1 d D . P A 1
H8 H 0.2621 -0.1166 0.1002 0.062 Uiso 0.649(3) 1 calc R U P A 1
C9 C 0.26703(19) -0.1031(14) 0.2536(5) 0.0485(17) Uani 0.649(3) 1 d D . P A 1
H9 H 0.2973 -0.1270 0.2800 0.058 Uiso 0.649(3) 1 calc R U P A 1
C10 C 0.2438(2) -0.074(2) 0.3188(5) 0.0506(16) Uani 0.649(3) 1 d D . P A 1
H10 H 0.2585 -0.0796 0.3916 0.061 Uiso 0.649(3) 1 calc R U P A 1
N3 N 0.1136(3) 0.2733(9) 0.4196(6) 0.0421(13) Uani 0.649(3) 1 d D . P A 1
C11 C 0.1318(3) 0.3766(13) 0.3647(7) 0.0428(17) Uani 0.649(3) 1 d D . P A 1
C12 C 0.1473(3) 0.5612(11) 0.3978(5) 0.0520(18) Uani 0.649(3) 1 d D . P A 1
H12 H 0.1612 0.6359 0.3597 0.062 Uiso 0.649(3) 1 calc R U P A 1
C13 C 0.1406(2) 0.6210(8) 0.4873(5) 0.0512(17) Uani 0.649(3) 1 d D . P A 1
H13 H 0.1493 0.7422 0.5125 0.061 Uiso 0.649(3) 1 calc R U P A 1
C14 C 0.1215(2) 0.5070(9) 0.5408(4) 0.0464(14) Uani 0.649(3) 1 d D . P A 1
H14 H 0.1169 0.5474 0.6034 0.056 Uiso 0.649(3) 1 calc R U P A 1
C15 C 0.1091(3) 0.3323(9) 0.5023(6) 0.0454(15) Uani 0.649(3) 1 d D . P A 1
H15 H 0.0965 0.2527 0.5407 0.054 Uiso 0.649(3) 1 calc R U P A 1
As1B As 0.12023(5) 0.0925(3) 0.23861(13) 0.0355(3) Uani 0.351(3) 1 d . . P A 2
O1B O 0.09535(18) -0.1359(8) 0.2203(4) 0.0433(15) Uani 0.351(3) 1 d . . P A 2
O2B O 0.17305(18) -0.0055(8) 0.3099(4) 0.0372(13) Uani 0.351(3) 1 d . . P A 2
O3B O 0.10921(18) 0.1215(7) 0.3617(4) 0.0365(13) Uani 0.351(3) 1 d . . P A 2
N1B N 0.0340(2) 0.0413(9) 0.1602(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C1B C 0.0499(2) -0.1261(10) 0.1706(12) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C2B C 0.0241(3) -0.2846(11) 0.1376(9) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H2B H 0.0367 -0.4044 0.1416 0.051 Uiso 0.351(3) 1 calc R U P A 2
C3B C -0.0197(2) -0.2586(9) 0.0995(10) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H3B H -0.0386 -0.3624 0.0827 0.051 Uiso 0.351(3) 1 calc R U P A 2
C4B C -0.0367(2) -0.0798(11) 0.0852(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H4B H -0.0669 -0.0604 0.0539 0.051 Uiso 0.351(3) 1 calc R U P A 2
C5B C -0.0088(3) 0.0693(11) 0.1175(10) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H5B H -0.0200 0.1918 0.1094 0.051 Uiso 0.351(3) 1 calc R U P A 2
N2B N 0.1818(3) -0.0275(18) 0.1488(6) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C6B C 0.2006(3) -0.035(2) 0.2508(5) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C7B C 0.2442(4) -0.067(4) 0.2975(7) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H7B H 0.2565 -0.0747 0.3711 0.051 Uiso 0.351(3) 1 calc R U P A 2
C8B C 0.2697(3) -0.087(3) 0.2309(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H8B H 0.3003 -0.1006 0.2587 0.051 Uiso 0.351(3) 1 calc R U P A 2
C9B C 0.2497(3) -0.088(3) 0.1249(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H9B H 0.2659 -0.1105 0.0784 0.051 Uiso 0.351(3) 1 calc R U P A 2
C10B C 0.2069(3) -0.056(3) 0.0882(7) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H10B H 0.1936 -0.0527 0.0149 0.051 Uiso 0.351(3) 1 calc R U P A 2
N3B N 0.1375(6) 0.387(2) 0.3553(11) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C11B C 0.1196(7) 0.2952(17) 0.4155(13) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C12B C 0.1145(6) 0.3772(19) 0.5086(11) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H12B H 0.1017 0.3122 0.5527 0.051 Uiso 0.351(3) 1 calc R U P A 2
C13B C 0.1294(5) 0.5541(16) 0.5289(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H13B H 0.1280 0.6149 0.5902 0.051 Uiso 0.351(3) 1 calc R U P A 2
C14B C 0.1462(5) 0.6440(15) 0.4614(9) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H14B H 0.1567 0.7673 0.4750 0.051 Uiso 0.351(3) 1 calc R U P A 2
C15B C 0.1478(7) 0.553(2) 0.3733(11) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H15B H 0.1573 0.6191 0.3237 0.051 Uiso 0.351(3) 1 calc R U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 As1 O3 89.62(16) . . ?
O1 As1 O2 92.64(14) . . ?
O3 As1 O2 89.54(15) . . ?
C1 O1 As1 110.9(3) . . ?
C6 O2 As1 113.1(3) . . ?
C11 O3 As1 115.8(4) . . ?
C1 N1 C5 120.5(5) . . ?
N1 C1 O1 117.3(4) . . ?
N1 C1 C2 123.0(5) . . ?
O1 C1 C2 119.7(4) . . ?
C3 C2 C1 117.0(5) . . ?
C3 C2 H2 121.5 . . ?
C1 C2 H2 121.5 . . ?
C2 C3 C4 120.1(5) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.0(5) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 120.2(5) . . ?
N1 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C6 N2 C10 117.4(5) . . ?
N2 C6 O2 115.7(4) . . ?
N2 C6 C7 123.9(5) . . ?
O2 C6 C7 120.4(4) . . ?
C6 C7 C8 116.8(5) . . ?
C6 C7 H7 121.6 . . ?
C8 C7 H7 121.6 . . ?
C9 C8 C7 119.0(5) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C10 C9 C8 118.9(5) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
N2 C10 C9 123.9(5) . . ?
N2 C10 H10 118.0 . . ?
C9 C10 H10 118.0 . . ?
C15 N3 C11 120.7(7) . . ?
N3 C11 O3 111.0(8) . . ?
N3 C11 C12 121.6(6) . . ?
O3 C11 C12 127.4(6) . . ?
C13 C12 C11 115.5(5) . . ?
C13 C12 H12 122.3 . . ?
C11 C12 H12 122.3 . . ?
C12 C13 C14 120.2(6) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 118.7(5) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N3 C15 C14 123.4(5) . . ?
N3 C15 H15 118.3 . . ?
C14 C15 H15 118.3 . . ?
O3B As1B O1B 91.4(3) . . ?
O3B As1B O2B 89.0(3) . . ?
O1B As1B O2B 91.4(3) . . ?
C1B O1B As1B 111.8(5) . . ?
C6B O2B As1B 115.0(5) . . ?
C11B O3B As1B 118.7(7) . . ?
C1B N1B C5B 120.5(5) . . ?
N1B C1B C2B 123.0(5) . . ?
N1B C1B O1B 114.5(6) . . ?
C2B C1B O1B 122.5(6) . . ?
C3B C2B C1B 117.0(5) . . ?
C3B C2B H2B 121.5 . . ?
C1B C2B H2B 121.5 . . ?
C2B C3B C4B 120.0(5) . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C5B C4B C3B 119.0(6) . . ?
C5B C4B H4B 120.5 . . ?
C3B C4B H4B 120.5 . . ?
N1B C5B C4B 120.3(5) . . ?
N1B C5B H5B 119.9 . . ?
C4B C5B H5B 119.9 . . ?
C6B N2B C10B 117.5(5) . . ?
N2B C6B C7B 123.9(5) . . ?
N2B C6B O2B 115.0(7) . . ?
C7B C6B O2B 121.1(6) . . ?
C6B C7B C8B 116.7(5) . . ?
C6B C7B H7B 121.6 . . ?
C8B C7B H7B 121.6 . . ?
C9B C8B C7B 119.0(6) . . ?
C9B C8B H8B 120.5 . . ?
C7B C8B H8B 120.5 . . ?
C10B C9B C8B 118.8(6) . . ?
C10B C9B H9B 120.6 . . ?
C8B C9B H9B 120.6 . . ?
N2B C10B C9B 123.9(5) . . ?
N2B C10B H10B 118.0 . . ?
C9B C10B H10B 118.0 . . ?
C15B N3B C11B 120.6(7) . . ?
N3B C11B O3B 102.0(12) . . ?
N3B C11B C12B 121.5(7) . . ?
O3B C11B C12B 136.5(10) . . ?
C13B C12B C11B 115.5(5) . . ?
C13B C12B H12B 122.3 . . ?
C11B C12B H12B 122.3 . . ?
C12B C13B C14B 120.1(6) . . ?
C12B C13B H13B 119.9 . . ?
C14B C13B H13B 119.9 . . ?
C13B C14B C15B 118.7(6) . . ?
C13B C14B H14B 120.6 . . ?
C15B C14B H14B 120.6 . . ?
N3B C15B C14B 123.2(5) . . ?
N3B C15B H15B 118.4 . . ?
C14B C15B H15B 118.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
As1 O1 1.810(3) . ?
As1 O3 1.827(3) . ?
As1 O2 1.828(3) . ?
O1 C1 1.352(6) . ?
O2 C6 1.352(6) . ?
O3 C11 1.391(8) . ?
N1 C1 1.305(6) . ?
N1 C5 1.343(7) . ?
C1 C2 1.405(6) . ?
C2 C3 1.366(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.394(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
N2 C6 1.322(5) . ?
N2 C10 1.336(6) . ?
C6 C7 1.378(7) . ?
C7 C8 1.406(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.376(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.341(9) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
N3 C15 1.246(8) . ?
N3 C11 1.314(5) . ?
C11 C12 1.446(9) . ?
C12 C13 1.363(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.364(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.376(7) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
As1B O3B 1.818(5) . ?
As1B O1B 1.819(6) . ?
As1B O2B 1.827(6) . ?
O1B C1B 1.419(9) . ?
O2B C6B 1.387(10) . ?
O3B C11B 1.436(11) . ?
N1B C1B 1.305(6) . ?
N1B C5B 1.343(7) . ?
C1B C2B 1.406(6) . ?
C2B C3B 1.367(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.394(8) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.386(8) . ?
C4B H4B 0.9500 . ?
C5B H5B 0.9500 . ?
N2B C6B 1.322(5) . ?
N2B C10B 1.336(7) . ?
C6B C7B 1.378(7) . ?
C7B C8B 1.406(8) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.376(5) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.341(9) . ?
C9B H9B 0.9500 . ?
C10B H10B 0.9500 . ?
N3B C15B 1.246(8) . ?
N3B C11B 1.314(5) . ?
C11B C12B 1.446(9) . ?
C12B C13B 1.363(8) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.364(6) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.376(7) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?
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
O3 As1 O1 C1 -178.0(3) . . . . ?
O2 As1 O1 C1 92.5(3) . . . . ?
O1 As1 O2 C6 175.8(3) . . . . ?
O3 As1 O2 C6 86.2(3) . . . . ?
O1 As1 O3 C11 95.1(5) . . . . ?
O2 As1 O3 C11 -172.3(5) . . . . ?
C5 N1 C1 O1 179.2(6) . . . . ?
C5 N1 C1 C2 -1.2(8) . . . . ?
As1 O1 C1 N1 -16.5(5) . . . . ?
As1 O1 C1 C2 163.9(4) . . . . ?
N1 C1 C2 C3 -1.7(8) . . . . ?
O1 C1 C2 C3 177.9(5) . . . . ?
C1 C2 C3 C4 2.3(9) . . . . ?
C2 C3 C4 C5 -0.2(10) . . . . ?
C1 N1 C5 C4 3.4(10) . . . . ?
C3 C4 C5 N1 -2.8(11) . . . . ?
C10 N2 C6 O2 -178.3(8) . . . . ?
C10 N2 C6 C7 0.8(11) . . . . ?
As1 O2 C6 N2 -2.5(6) . . . . ?
As1 O2 C6 C7 178.4(5) . . . . ?
N2 C6 C7 C8 -1.9(10) . . . . ?
O2 C6 C7 C8 177.1(6) . . . . ?
C6 C7 C8 C9 1.8(11) . . . . ?
C7 C8 C9 C10 -0.6(14) . . . . ?
C6 N2 C10 C9 0.6(16) . . . . ?
C8 C9 C10 N2 -0.7(17) . . . . ?
C15 N3 C11 O3 177.7(8) . . . . ?
C15 N3 C11 C12 0.2(14) . . . . ?
As1 O3 C11 N3 -4.9(9) . . . . ?
As1 O3 C11 C12 172.5(8) . . . . ?
N3 C11 C12 C13 -1.7(13) . . . . ?
O3 C11 C12 C13 -178.8(9) . . . . ?
C11 C12 C13 C14 1.7(12) . . . . ?
C12 C13 C14 C15 -0.3(11) . . . . ?
C11 N3 C15 C14 1.5(14) . . . . ?
C13 C14 C15 N3 -1.4(12) . . . . ?
O3B As1B O1B C1B 86.7(8) . . . . ?
O2B As1B O1B C1B 175.7(8) . . . . ?
O3B As1B O2B C6B -171.8(9) . . . . ?
O1B As1B O2B C6B 96.8(9) . . . . ?
O1B As1B O3B C11B -175.6(12) . . . . ?
O2B As1B O3B C11B 93.0(12) . . . . ?
C5B N1B C1B C2B 1(2) . . . . ?
C5B N1B C1B O1B -177.8(10) . . . . ?
As1B O1B C1B N1B -8.5(16) . . . . ?
As1B O1B C1B C2B 172.8(11) . . . . ?
N1B C1B C2B C3B -4(2) . . . . ?
O1B C1B C2B C3B 174.2(13) . . . . ?
C1B C2B C3B C4B 6.2(19) . . . . ?
C2B C3B C4B C5B -5(2) . . . . ?
C1B N1B C5B C4B 1(2) . . . . ?
C3B C4B C5B N1B 1.1(18) . . . . ?
C10B N2B C6B C7B 1(3) . . . . ?
C10B N2B C6B O2B -179.9(13) . . . . ?
As1B O2B C6B N2B -14.0(17) . . . . ?
As1B O2B C6B C7B 164.7(17) . . . . ?
N2B C6B C7B C8B 1(3) . . . . ?
O2B C6B C7B C8B -177.2(18) . . . . ?
C6B C7B C8B C9B -4(3) . . . . ?
C7B C8B C9B C10B 5(3) . . . . ?
C6B N2B C10B C9B -1(3) . . . . ?
C8B C9B C10B N2B -2(3) . . . . ?
C15B N3B C11B O3B 174.4(18) . . . . ?
C15B N3B C11B C12B -5(3) . . . . ?
As1B O3B C11B N3B -3(2) . . . . ?
As1B O3B C11B C12B 176(2) . . . . ?
N3B C11B C12B C13B 0(3) . . . . ?
O3B C11B C12B C13B -179(2) . . . . ?
C11B C12B C13B C14B 2(3) . . . . ?
C12B C13B C14B C15B 0(3) . . . . ?
C11B N3B C15B C14B 8(3) . . . . ?
C13B C14B C15B N3B -5(3) . . . . ?
