#------------------------------------------------------------------------------
#$Date: 2020-07-06 05:06:13 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253827 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126511.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_7126511
loop_
_publ_author_name
'Fujii, Toshiki'
'Tanaka, Susumu'
'Hayashi, Shotaro'
'Imoto, Hiroaki'
'Naka, Kensuke'
_publ_section_title
;
 Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged
 bipyridines.
;
_journal_issue                   45
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6035
_journal_page_last               6038
_journal_paper_doi               10.1039/d0cc02389b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C32 H22 As2 N4 O2'
_chemical_formula_sum            'C32 H22 As2 N4 O2'
_chemical_formula_weight         644.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-04-02 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                70.613(13)
_cell_angle_beta                 73.295(15)
_cell_angle_gamma                74.157(14)
_cell_formula_units_Z            1
_cell_length_a                   8.366(3)
_cell_length_b                   8.971(3)
_cell_length_c                   9.981(4)
_cell_measurement_reflns_used    1852
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.02
_cell_volume                     663.6(4)
_computing_cell_refinement       DTREK
_computing_data_collection       DTREK
_computing_data_reduction        DTREK
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273
_diffrn_detector_area_resol_mean 13.653
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7075
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         3.024
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.558
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             324.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3030
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0466P)²+0.1365P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0820
_reflns_number_gt                2663
_reflns_number_total             3030
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0cc02389b2.cif
_cod_data_source_block           DPA-Ox_2
_cod_depositor_comments
'Adding full bibliography for 7126511--7126515.cif.'
_cod_original_cell_volume        663.5(4)
_cod_database_code               7126511
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.39358(3) 0.60266(3) 0.09338(2) 0.03693(10) Uani 1 2 d . . .
O1 O 0.4009(2) 0.50042(19) -0.07001(18) 0.0394(3) Uani 1 2 d . . .
N1 N 0.4625(3) 0.7596(3) 0.4286(3) 0.0613(6) Uani 1 2 d . . .
N2 N 0.2037(4) 0.9963(3) -0.2334(3) 0.0634(7) Uani 1 2 d . . .
C1 C 0.4033(3) 0.7211(3) 0.2241(3) 0.0422(5) Uani 1 2 d . . .
C2 C 0.3338(3) 0.8852(3) 0.1775(3) 0.0437(5) Uani 1 2 d . . .
C3 C 0.2808(3) 0.9349(3) 0.0368(3) 0.0424(5) Uani 1 2 d . . .
C4 C 0.3072(3) 0.8114(3) -0.0275(3) 0.0408(5) Uani 1 2 d . . .
C5 C 0.2182(3) 0.4844(3) 0.2122(3) 0.0388(5) Uani 1 2 d . . .
C6 C 0.4685(4) 0.6659(4) 0.3482(3) 0.0523(6) Uani 1 2 d . . .
C7 C 0.3891(4) 0.9154(4) 0.3855(4) 0.0659(8) Uani 1 2 d . . .
C8 C 0.3253(4) 0.9847(4) 0.2598(3) 0.0571(7) Uani 1 2 d . . .
C9 C 0.2685(4) 0.8474(3) -0.1623(3) 0.0503(6) Uani 1 2 d . . .
C10 C 0.1796(5) 1.1131(4) -0.1703(4) 0.0665(8) Uani 1 2 d . . .
C11 C 0.2153(4) 1.0894(3) -0.0368(3) 0.0572(7) Uani 1 2 d . . .
C12 C 0.2348(4) 0.3845(3) 0.3499(3) 0.0527(6) Uani 1 2 d . . .
C13 C 0.1055(5) 0.3015(4) 0.4347(3) 0.0688(9) Uani 1 2 d . . .
C14 C -0.0381(5) 0.3220(5) 0.3841(4) 0.0751(10) Uani 1 2 d . . .
C15 C -0.0545(4) 0.4218(4) 0.2487(4) 0.0660(8) Uani 1 2 d . . .
C16 C 0.0746(3) 0.5018(3) 0.1619(3) 0.0508(6) Uani 1 2 d . . .
H6 H 0.5191 0.55759 0.37658 0.0628 Uiso 1 2 calc R . .
H7 H 0.38037 0.98106 0.44338 0.0791 Uiso 1 2 calc R . .
H8 H 0.27861 1.09417 0.23235 0.0685 Uiso 1 2 calc R . .
H9 H 0.28851 0.7643 -0.20479 0.0604 Uiso 1 2 calc R . .
H10 H 0.13572 1.21757 -0.21954 0.0798 Uiso 1 2 calc R . .
H11 H 0.19554 1.17527 0.00216 0.0687 Uiso 1 2 calc R . .
H12 H 0.33057 0.3734 0.38462 0.0632 Uiso 1 2 calc R . .
H13 H 0.11606 0.23185 0.52589 0.0826 Uiso 1 2 calc R . .
H14 H -0.12478 0.26756 0.44238 0.0901 Uiso 1 2 calc R . .
H15 H -0.15217 0.43547 0.21555 0.0792 Uiso 1 2 calc R . .
H16 H 0.06502 0.56762 0.06923 0.0610 Uiso 1 2 calc R . .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
As As 0.0499 2.0058
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
As1 As1 O1 34.85(5) yes 2_665 . .
As1 As1 O1 44.70(7) yes 2_665 . 2_665
As1 As1 C1 142.84(7) yes 2_665 . .
As1 As1 C4 109.16(8) yes 2_665 . .
As1 As1 C5 103.55(8) yes 2_665 . .
O1 As1 O1 79.55(9) yes . . 2_665
O1 As1 C1 171.86(8) yes . . .
O1 As1 C4 88.75(10) yes . . .
O1 As1 C5 86.88(10) yes . . .
O1 As1 C1 98.80(10) yes 2_665 . .
O1 As1 C4 126.28(8) yes 2_665 . .
O1 As1 C5 118.05(9) yes 2_665 . .
C1 As1 C4 85.85(12) yes . . .
C1 As1 C5 100.84(11) yes . . .
C4 As1 C5 113.32(10) yes . . .
As1 O1 As1 100.45(10) yes . . 2_665
C6 N1 C7 117.4(3) yes . . .
C9 N2 C10 117.0(3) yes . . .
As1 C1 C2 111.8(2) yes . . .
As1 C1 C6 129.7(2) yes . . .
C2 C1 C6 118.5(3) yes . . .
C1 C2 C3 114.4(3) yes . . .
C1 C2 C8 119.2(3) yes . . .
C3 C2 C8 126.4(2) yes . . .
C2 C3 C4 115.3(2) yes . . .
C2 C3 C11 126.5(3) yes . . .
C4 C3 C11 118.1(3) yes . . .
As1 C4 C3 112.35(19) yes . . .
As1 C4 C9 128.2(2) yes . . .
C3 C4 C9 119.5(2) yes . . .
As1 C5 C12 119.7(2) yes . . .
As1 C5 C16 119.92(17) yes . . .
C12 C5 C16 120.3(2) yes . . .
N1 C6 C1 123.2(3) yes . . .
N1 C7 C8 124.1(4) yes . . .
C2 C8 C7 117.4(3) yes . . .
N2 C9 C4 122.7(3) yes . . .
N2 C10 C11 124.6(3) yes . . .
C3 C11 C10 118.2(3) yes . . .
C5 C12 C13 118.8(3) yes . . .
C12 C13 C14 120.3(3) yes . . .
C13 C14 C15 120.7(3) yes . . .
C14 C15 C16 119.6(4) yes . . .
C5 C16 C15 120.3(3) yes . . .
N1 C6 H6 118.385 no . . .
C1 C6 H6 118.388 no . . .
N1 C7 H7 117.945 no . . .
C8 C7 H7 117.943 no . . .
C2 C8 H8 121.290 no . . .
C7 C8 H8 121.284 no . . .
N2 C9 H9 118.665 no . . .
C4 C9 H9 118.664 no . . .
N2 C10 H10 117.713 no . . .
C11 C10 H10 117.723 no . . .
C3 C11 H11 120.919 no . . .
C10 C11 H11 120.917 no . . .
C5 C12 H12 120.610 no . . .
C13 C12 H12 120.617 no . . .
C12 C13 H13 119.864 no . . .
C14 C13 H13 119.861 no . . .
C13 C14 H14 119.644 no . . .
C15 C14 H14 119.636 no . . .
C14 C15 H15 120.188 no . . .
C16 C15 H15 120.189 no . . .
C5 C16 H16 119.878 no . . .
C15 C16 H16 119.866 no . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
As1 As1 2.9356(9) yes . 2_665
As1 O1 2.100(2) yes . .
As1 O1 1.7057(16) yes . 2_665
As1 C1 1.966(3) yes . .
As1 C4 1.936(2) yes . .
As1 C5 1.923(2) yes . .
N1 C6 1.325(5) yes . .
N1 C7 1.341(4) yes . .
N2 C9 1.334(3) yes . .
N2 C10 1.335(5) yes . .
C1 C2 1.398(3) yes . .
C1 C6 1.382(4) yes . .
C2 C3 1.484(4) yes . .
C2 C8 1.376(5) yes . .
C3 C4 1.395(4) yes . .
C3 C11 1.379(3) yes . .
C4 C9 1.387(4) yes . .
C5 C12 1.391(3) yes . .
C5 C16 1.383(4) yes . .
C7 C8 1.390(5) yes . .
C10 C11 1.384(5) yes . .
C12 C13 1.392(5) yes . .
C13 C14 1.377(6) yes . .
C14 C15 1.373(5) yes . .
C15 C16 1.380(4) yes . .
C6 H6 0.930 no . .
C7 H7 0.930 no . .
C8 H8 0.930 no . .
C9 H9 0.930 no . .
C10 H10 0.930 no . .
C11 H11 0.930 no . .
C12 H12 0.930 no . .
C13 H13 0.930 no . .
C14 H14 0.930 no . .
C15 H15 0.930 no . .
C16 H16 0.930 no . .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
O1 C6 3.353(4) no . 2_665
O1 C9 2.927(3) no . .
O1 C16 3.030(3) no . .
N1 C2 2.778(4) no . .
N2 C3 2.795(4) no . .
C1 C7 2.699(6) no . .
C1 C12 3.387(4) no . .
C4 C10 2.689(4) no . .
C4 C16 3.525(4) no . .
C5 C14 2.756(4) no . .
C6 C8 2.731(4) no . .
C6 C12 3.583(5) no . .
C8 C11 3.121(5) no . .
C9 C11 2.727(5) no . .
C12 C15 2.781(5) no . .
C13 C16 2.759(4) no . .
N1 C10 3.520(4) no . 2_675
N1 C12 3.537(5) no . 2_666
N2 C7 3.498(5) no . 2_675
C6 C6 3.521(4) no . 2_666
C7 N2 3.498(5) no . 2_675
C10 N1 3.520(4) no . 2_675
C10 C16 3.542(4) no . 2_575
C12 N1 3.537(5) no . 2_666
C16 C10 3.542(4) no . 2_575
As1 H6 3.1578 no . .
As1 H9 3.1104 no . .
As1 H12 2.9494 no . .
As1 H16 2.9351 no . .
O1 H6 3.1259 no . 2_665
O1 H9 2.3865 no . .
O1 H12 3.3407 no . 2_665
O1 H16 2.7527 no . .
N1 H8 3.2432 no . .
N2 H11 3.2343 no . .
C1 H8 3.2436 no . .
C1 H12 3.1345 no . .
C2 H6 3.2242 no . .
C2 H7 3.1971 no . .
C2 H11 2.7691 no . .
C3 H8 2.7688 no . .
C3 H9 3.2354 no . .
C3 H10 3.2010 no . .
C4 H11 3.2297 no . .
C4 H16 3.1166 no . .
C5 H13 3.2362 no . .
C5 H15 3.2355 no . .
C6 H7 3.1119 no . .
C6 H12 3.0208 no . .
C7 H6 3.1175 no . .
C8 H11 2.8957 no . .
C9 H10 3.1109 no . .
C9 H16 3.2798 no . .
C10 H9 3.1168 no . .
C11 H8 2.8996 no . .
C12 H6 3.2853 no . .
C12 H14 3.2382 no . .
C12 H16 3.2437 no . .
C13 H15 3.2289 no . .
C14 H12 3.2420 no . .
C14 H16 3.2186 no . .
C15 H13 3.2263 no . .
C16 H12 3.2470 no . .
C16 H14 3.2184 no . .
H6 H12 2.5468 no . .
H7 H8 2.3089 no . .
H8 H11 2.4131 no . .
H9 H12 3.3071 no . 2_665
H9 H16 3.1219 no . .
H10 H11 2.2948 no . .
H12 H13 2.3285 no . .
H13 H14 2.3005 no . .
H14 H15 2.3006 no . .
H15 H16 2.3110 no . .
O1 H11 3.5509 no . 1_545
O1 H15 2.7021 no . 2_565
N1 H6 2.8567 no . 2_666
N1 H9 3.5382 no . 1_556
N1 H10 3.4284 no . 2_675
N1 H12 2.6738 no . 2_666
N1 H14 2.7883 no . 2_566
N2 H7 3.1705 no . 1_554
N2 H7 3.5284 no . 2_675
N2 H13 2.7515 no . 1_564
C1 H14 3.4866 no . 2_566
C5 H8 3.3429 no . 1_545
C5 H10 3.4065 no . 2_575
C6 H6 2.8234 no . 2_666
C6 H10 3.5014 no . 2_675
C6 H12 3.4196 no . 2_666
C6 H14 3.0709 no . 2_566
C6 H15 3.4517 no . 1_655
C7 H7 3.3802 no . 2_676
C7 H13 3.5358 no . 1_565
C7 H14 2.9083 no . 2_566
C8 H14 3.3928 no . 2_566
C9 H15 3.1954 no . 2_565
C10 H13 3.0138 no . 1_564
C10 H16 3.3079 no . 2_575
C11 H16 3.3024 no . 2_575
C12 H7 3.3846 no . 1_545
C12 H8 3.0909 no . 1_545
C13 H7 3.1458 no . 1_545
C13 H8 2.9958 no . 1_545
C13 H10 3.3486 no . 1_546
C14 H8 3.2063 no . 1_545
C14 H9 3.4861 no . 2_565
C15 H6 3.4465 no . 1_455
C15 H8 3.4665 no . 1_545
C15 H9 3.0939 no . 2_565
C15 H10 3.0497 no . 2_575
C15 H16 3.1684 no . 2_565
C16 H8 3.5146 no . 1_545
C16 H10 2.7796 no . 2_575
C16 H11 3.5636 no . 1_545
C16 H11 3.4037 no . 2_575
C16 H15 3.5095 no . 2_565
C16 H16 3.1581 no . 2_565
H6 N1 2.8567 no . 2_666
H6 C6 2.8234 no . 2_666
H6 C15 3.4465 no . 1_655
H6 H6 2.2972 no . 2_666
H6 H12 3.2823 no . 2_666
H6 H14 3.4401 no . 1_655
H6 H14 3.4981 no . 2_566
H6 H15 2.8860 no . 1_655
H7 N2 3.1705 no . 1_556
H7 N2 3.5284 no . 2_675
H7 C7 3.3802 no . 2_676
H7 C12 3.3846 no . 1_565
H7 C13 3.1458 no . 1_565
H7 H7 2.7067 no . 2_676
H7 H9 3.3814 no . 1_556
H7 H12 3.2976 no . 1_565
H7 H13 2.8453 no . 1_565
H7 H14 3.2187 no . 2_566
H8 C5 3.3429 no . 1_565
H8 C12 3.0909 no . 1_565
H8 C13 2.9958 no . 1_565
H8 C14 3.2063 no . 1_565
H8 C15 3.4665 no . 1_565
H8 C16 3.5146 no . 1_565
H8 H12 3.5035 no . 1_565
H8 H13 3.3396 no . 1_565
H9 N1 3.5382 no . 1_554
H9 C14 3.4861 no . 2_565
H9 C15 3.0939 no . 2_565
H9 H7 3.3814 no . 1_554
H9 H14 3.1799 no . 2_565
H9 H15 2.4162 no . 2_565
H10 N1 3.4284 no . 2_675
H10 C5 3.4065 no . 2_575
H10 C6 3.5014 no . 2_675
H10 C13 3.3486 no . 1_564
H10 C15 3.0497 no . 2_575
H10 C16 2.7796 no . 2_575
H10 H13 2.5518 no . 1_564
H10 H15 3.1666 no . 2_575
H10 H16 2.7364 no . 2_575
H11 O1 3.5509 no . 1_565
H11 C16 3.5636 no . 1_565
H11 C16 3.4037 no . 2_575
H11 H15 3.4309 no . 2_575
H11 H16 2.7632 no . 2_575
H12 N1 2.6738 no . 2_666
H12 C6 3.4196 no . 2_666
H12 H6 3.2823 no . 2_666
H12 H7 3.2976 no . 1_545
H12 H8 3.5035 no . 1_545
H13 N2 2.7515 no . 1_546
H13 C7 3.5358 no . 1_545
H13 C10 3.0138 no . 1_546
H13 H7 2.8453 no . 1_545
H13 H8 3.3396 no . 1_545
H13 H10 2.5518 no . 1_546
H14 N1 2.7883 no . 2_566
H14 C1 3.4866 no . 2_566
H14 C6 3.0709 no . 2_566
H14 C7 2.9083 no . 2_566
H14 C8 3.3928 no . 2_566
H14 H6 3.4401 no . 1_455
H14 H6 3.4981 no . 2_566
H14 H7 3.2187 no . 2_566
H14 H9 3.1799 no . 2_565
H15 O1 2.7021 no . 2_565
H15 C6 3.4517 no . 1_455
H15 C9 3.1954 no . 2_565
H15 C16 3.5095 no . 2_565
H15 H6 2.8860 no . 1_455
H15 H9 2.4162 no . 2_565
H15 H10 3.1666 no . 2_575
H15 H11 3.4309 no . 2_575
H15 H16 2.7315 no . 2_565
H16 C10 3.3079 no . 2_575
H16 C11 3.3024 no . 2_575
H16 C15 3.1684 no . 2_565
H16 C16 3.1581 no . 2_565
H16 H10 2.7364 no . 2_575
H16 H11 2.7632 no . 2_575
H16 H15 2.7315 no . 2_565
H16 H16 2.6950 no . 2_565
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
As1 As1 O1 As1 0.0 no 2_665 . . 2_665
O1 As1 As1 O1 180.00(8) no . . 2_665 2_665
O1 As1 As1 O1 0.00(7) no . . 2_665 .
O1 As1 As1 C1 -13.30(7) no . . 2_665 2_665
O1 As1 As1 C4 -122.65(7) no . . 2_665 2_665
O1 As1 As1 C5 116.36(7) no . . 2_665 2_665
As1 As1 O1 As1 0.0 no 2_665 . 2_665 2_665
O1 As1 As1 O1 -0.00(7) no 2_665 . 2_665 2_665
O1 As1 As1 O1 -180.00(7) no 2_665 . 2_665 .
O1 As1 As1 C1 166.70(7) no 2_665 . 2_665 2_665
O1 As1 As1 C4 57.35(7) no 2_665 . 2_665 2_665
O1 As1 As1 C5 -63.64(7) no 2_665 . 2_665 2_665
As1 As1 C1 C2 121.76(11) no 2_665 . . .
As1 As1 C1 C6 -57.3(2) no 2_665 . . .
C1 As1 As1 O1 13.30(11) no . . 2_665 2_665
C1 As1 As1 O1 -166.70(11) no . . 2_665 .
C1 As1 As1 C1 -180.00(11) no . . 2_665 2_665
C1 As1 As1 C4 70.65(11) no . . 2_665 2_665
C1 As1 As1 C5 -50.34(11) no . . 2_665 2_665
As1 As1 C4 C3 -150.08(11) no 2_665 . . .
As1 As1 C4 C9 31.1(2) no 2_665 . . .
C4 As1 As1 O1 122.65(9) no . . 2_665 2_665
C4 As1 As1 O1 -57.35(9) no . . 2_665 .
C4 As1 As1 C1 -70.65(9) no . . 2_665 2_665
C4 As1 As1 C4 180.00(9) no . . 2_665 2_665
C4 As1 As1 C5 59.01(9) no . . 2_665 2_665
As1 As1 C5 C12 95.84(17) no 2_665 . . .
As1 As1 C5 C16 -85.61(16) no 2_665 . . .
C5 As1 As1 O1 -116.36(8) no . . 2_665 2_665
C5 As1 As1 O1 63.64(8) no . . 2_665 .
C5 As1 As1 C1 50.34(8) no . . 2_665 2_665
C5 As1 As1 C4 -59.01(8) no . . 2_665 2_665
C5 As1 As1 C5 -180.00(8) no . . 2_665 2_665
O1 As1 O1 As1 -0.00(6) no . . 2_665 2_665
O1 As1 O1 As1 0.00(7) no 2_665 . . 2_665
O1 As1 C4 C3 -178.84(14) no . . . .
O1 As1 C4 C9 2.36(18) no . . . .
C4 As1 O1 As1 127.29(9) no . . . 2_665
O1 As1 C5 C12 126.69(17) no . . . .
O1 As1 C5 C16 -54.77(17) no . . . .
C5 As1 O1 As1 -119.27(9) no . . . 2_665
O1 As1 C1 C2 131.18(13) no 2_665 . . .
O1 As1 C1 C6 -47.9(2) no 2_665 . . .
C1 As1 O1 As1 -171.92(8) no . . 2_665 2_665
O1 As1 C4 C3 -102.80(15) no 2_665 . . .
O1 As1 C4 C9 78.4(2) no 2_665 . . .
C4 As1 O1 As1 -80.62(15) no . . 2_665 2_665
O1 As1 C5 C12 50.3(2) no 2_665 . . .
O1 As1 C5 C16 -131.18(15) no 2_665 . . .
C5 As1 O1 As1 80.74(12) no . . 2_665 2_665
C1 As1 C4 C3 -4.93(15) no . . . .
C1 As1 C4 C9 176.3(2) no . . . .
C4 As1 C1 C2 5.09(14) no . . . .
C4 As1 C1 C6 -174.0(2) no . . . .
C1 As1 C5 C12 -55.89(18) no . . . .
C1 As1 C5 C16 122.65(18) no . . . .
C5 As1 C1 C2 -107.88(14) no . . . .
C5 As1 C1 C6 73.0(2) no . . . .
C4 As1 C5 C12 -146.03(16) no . . . .
C4 As1 C5 C16 32.5(2) no . . . .
C5 As1 C4 C3 95.10(18) no . . . .
C5 As1 C4 C9 -83.7(2) no . . . .
C6 N1 C7 C8 -2.5(5) no . . . .
C7 N1 C6 C1 -0.1(4) no . . . .
C9 N2 C10 C11 -0.7(5) no . . . .
C10 N2 C9 C4 1.2(4) no . . . .
As1 C1 C2 C3 -4.2(2) no . . . .
As1 C1 C2 C8 177.78(14) no . . . .
As1 C1 C6 N1 -178.19(16) no . . . .
C2 C1 C6 N1 2.7(4) no . . . .
C6 C1 C2 C3 175.0(2) no . . . .
C6 C1 C2 C8 -3.0(3) no . . . .
C1 C2 C3 C4 0.3(3) no . . . .
C1 C2 C3 C11 -177.2(2) no . . . .
C1 C2 C8 C7 0.7(4) no . . . .
C3 C2 C8 C7 -177.0(2) no . . . .
C8 C2 C3 C4 178.1(2) no . . . .
C8 C2 C3 C11 0.6(4) no . . . .
C2 C3 C4 As1 3.9(3) no . . . .
C2 C3 C4 C9 -177.23(19) no . . . .
C2 C3 C11 C10 177.4(2) no . . . .
C4 C3 C11 C10 -0.1(4) no . . . .
C11 C3 C4 As1 -178.4(2) no . . . .
C11 C3 C4 C9 0.5(3) no . . . .
As1 C4 C9 N2 177.60(17) no . . . .
C3 C4 C9 N2 -1.1(4) no . . . .
As1 C5 C12 C13 179.28(17) no . . . .
As1 C5 C16 C15 -177.66(17) no . . . .
C12 C5 C16 C15 0.9(4) no . . . .
C16 C5 C12 C13 0.7(4) no . . . .
N1 C7 C8 C2 2.1(5) no . . . .
N2 C10 C11 C3 0.2(5) no . . . .
C5 C12 C13 C14 -1.8(5) no . . . .
C12 C13 C14 C15 1.3(6) no . . . .
C13 C14 C15 C16 0.4(6) no . . . .
C14 C15 C16 C5 -1.4(5) no . . . .
