#------------------------------------------------------------------------------
#$Date: 2020-07-06 05:06:13 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253827 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126513.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_7126513
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         'C16 H11 As N2'
_chemical_formula_sum            'C16 H11 As N2'
_chemical_formula_weight         306.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 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                90.0000
_cell_angle_beta                 104.051(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.672(9)
_cell_length_b                   11.334(8)
_cell_length_c                   8.756(6)
_cell_measurement_reflns_used    2808
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.07
_cell_volume                     1316.2(16)
_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    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      273
_diffrn_detector_area_resol_mean 13.653
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_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  0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13572
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_min         3.072
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.569
_exptl_absorpt_correction_T_max  0.598
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             616.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3012
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0325P)²+0.3521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0841
_reflns_number_gt                2282
_reflns_number_total             3012
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0cc02389b2.cif
_cod_data_source_block           DPA_1
_cod_depositor_comments
'Adding full bibliography for 7126511--7126515.cif.'
_cod_database_code               7126513
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+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 0.66821(2) 0.50025(2) 0.48515(3) 0.04555(11) Uani 1 4 d . . .
N1 N 0.92755(19) 0.5524(3) 0.3088(3) 0.0637(7) Uani 1 4 d . . .
N2 N 0.55628(18) 0.8251(2) 0.6171(3) 0.0587(6) Uani 1 4 d . . .
C1 C 0.7851(2) 0.5614(2) 0.4219(3) 0.0443(6) Uani 1 4 d . . .
C2 C 0.79109(18) 0.6846(2) 0.4294(3) 0.0405(5) Uani 1 4 d . . .
C3 C 0.71257(17) 0.7410(2) 0.4928(3) 0.0385(5) Uani 1 4 d . . .
C4 C 0.64655(18) 0.6628(2) 0.5395(3) 0.0404(5) Uani 1 4 d . . .
C5 C 0.73031(19) 0.4338(2) 0.6917(3) 0.0398(5) Uani 1 4 d . . .
C6 C 0.8549(2) 0.5007(3) 0.3610(4) 0.0549(7) Uani 1 4 d . . .
C7 C 0.9319(2) 0.6697(3) 0.3175(4) 0.0606(8) Uani 1 4 d . . .
C8 C 0.86677(19) 0.7394(3) 0.3756(3) 0.0501(6) Uani 1 4 d . . .
C9 C 0.5709(2) 0.7096(3) 0.6013(3) 0.0534(7) Uani 1 4 d . . .
C10 C 0.6192(2) 0.8975(3) 0.5685(3) 0.0552(7) Uani 1 4 d . . .
C11 C 0.6981(2) 0.8610(2) 0.5079(3) 0.0463(6) Uani 1 4 d . . .
C12 C 0.8331(2) 0.4384(2) 0.7611(3) 0.0448(6) Uani 1 4 d . . .
C13 C 0.8707(2) 0.3869(3) 0.9073(4) 0.0555(7) Uani 1 4 d . . .
C14 C 0.8062(3) 0.3307(3) 0.9829(4) 0.0587(8) Uani 1 4 d . . .
C15 C 0.7050(2) 0.3264(2) 0.9151(4) 0.0569(7) Uani 1 4 d . . .
C16 C 0.6670(2) 0.3772(2) 0.7695(3) 0.0484(6) Uani 1 4 d . . .
H6 H 0.85057 0.41881 0.35649 0.0659 Uiso 1 4 calc R . .
H7 H 0.98259 0.70728 0.28181 0.0727 Uiso 1 4 calc R . .
H8 H 0.87344 0.82107 0.37856 0.0602 Uiso 1 4 calc R . .
H9 H 0.52754 0.65735 0.63386 0.0640 Uiso 1 4 calc R . .
H10 H 0.60916 0.97823 0.57586 0.0662 Uiso 1 4 calc R . .
H11 H 0.7407 0.91552 0.47791 0.0556 Uiso 1 4 calc R . .
H12 H 0.87657 0.47585 0.70973 0.0538 Uiso 1 4 calc R . .
H13 H 0.93932 0.39032 0.95446 0.0666 Uiso 1 4 calc R . .
H14 H 0.83174 0.29562 1.08048 0.0704 Uiso 1 4 calc R . .
H15 H 0.66182 0.28929 0.96718 0.0683 Uiso 1 4 calc R . .
H16 H 0.59818 0.37326 0.72334 0.0581 Uiso 1 4 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)
;
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
C1 As1 C4 85.20(11) yes . . .
C1 As1 C5 101.48(11) yes . . .
C4 As1 C5 101.35(10) yes . . .
C6 N1 C7 116.6(3) yes . . .
C9 N2 C10 116.5(3) yes . . .
As1 C1 C2 112.7(2) yes . . .
As1 C1 C6 128.6(2) yes . . .
C2 C1 C6 118.5(3) yes . . .
C1 C2 C3 114.3(2) yes . . .
C1 C2 C8 118.2(3) yes . . .
C3 C2 C8 127.5(2) yes . . .
C2 C3 C4 114.7(2) yes . . .
C2 C3 C11 126.7(2) yes . . .
C4 C3 C11 118.5(2) yes . . .
As1 C4 C3 112.48(19) yes . . .
As1 C4 C9 129.2(2) yes . . .
C3 C4 C9 118.0(2) yes . . .
As1 C5 C12 123.8(2) yes . . .
As1 C5 C16 116.85(18) yes . . .
C12 C5 C16 119.3(2) yes . . .
N1 C6 C1 123.9(3) yes . . .
N1 C7 C8 124.8(3) yes . . .
C2 C8 C7 118.2(3) yes . . .
N2 C9 C4 124.1(3) yes . . .
N2 C10 C11 124.5(3) yes . . .
C3 C11 C10 118.4(3) yes . . .
C5 C12 C13 119.7(3) yes . . .
C12 C13 C14 120.1(3) yes . . .
C13 C14 C15 120.3(3) yes . . .
C14 C15 C16 120.1(3) yes . . .
C5 C16 C15 120.5(3) yes . . .
N1 C6 H6 118.055 no . . .
C1 C6 H6 118.073 no . . .
N1 C7 H7 117.623 no . . .
C8 C7 H7 117.620 no . . .
C2 C8 H8 120.904 no . . .
C7 C8 H8 120.902 no . . .
N2 C9 H9 117.962 no . . .
C4 C9 H9 117.960 no . . .
N2 C10 H10 117.766 no . . .
C11 C10 H10 117.776 no . . .
C3 C11 H11 120.798 no . . .
C10 C11 H11 120.796 no . . .
C5 C12 H12 120.139 no . . .
C13 C12 H12 120.132 no . . .
C12 C13 H13 119.965 no . . .
C14 C13 H13 119.964 no . . .
C13 C14 H14 119.851 no . . .
C15 C14 H14 119.844 no . . .
C14 C15 H15 119.959 no . . .
C16 C15 H15 119.964 no . . .
C5 C16 H16 119.751 no . . .
C15 C16 H16 119.756 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 C1 1.942(3) yes . .
As1 C4 1.944(3) yes . .
As1 C5 1.953(3) yes . .
N1 C6 1.327(5) yes . .
N1 C7 1.333(5) yes . .
N2 C9 1.337(4) yes . .
N2 C10 1.332(4) yes . .
C1 C2 1.399(4) yes . .
C1 C6 1.384(4) yes . .
C2 C3 1.469(4) yes . .
C2 C8 1.384(4) yes . .
C3 C4 1.395(4) yes . .
C3 C11 1.385(4) yes . .
C4 C9 1.384(4) yes . .
C5 C12 1.391(4) yes . .
C5 C16 1.383(4) yes . .
C7 C8 1.376(4) yes . .
C10 C11 1.376(4) yes . .
C12 C13 1.387(4) yes . .
C13 C14 1.379(5) yes . .
C14 C15 1.368(4) 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
N1 C2 2.793(4) no . .
N2 C3 2.791(4) no . .
C1 C7 2.695(5) no . .
C1 C12 3.202(4) no . .
C4 C10 2.706(4) no . .
C5 C14 2.768(4) no . .
C6 C8 2.711(4) no . .
C8 C11 3.139(4) no . .
C9 C11 2.707(4) no . .
C12 C15 2.764(5) no . .
C13 C16 2.756(4) no . .
N1 C12 3.473(5) no . 3_766
N2 C3 3.540(4) no . 4_565
N2 C15 3.515(5) no . 2_656
N2 C16 3.481(5) no . 2_656
C1 C10 3.395(4) no . 4_564
C2 C10 3.574(4) no . 4_564
C3 N2 3.540(4) no . 4_564
C3 C8 3.507(4) no . 4_565
C3 C9 3.549(4) no . 4_564
C8 C3 3.507(4) no . 4_564
C9 C3 3.549(4) no . 4_565
C10 C1 3.395(4) no . 4_565
C10 C2 3.574(4) no . 4_565
C11 C16 3.594(4) no . 4_564
C12 N1 3.473(5) no . 3_766
C15 N2 3.515(5) no . 2_646
C16 N2 3.481(5) no . 2_646
C16 C11 3.594(4) no . 4_565
As1 H6 3.1146 no . .
As1 H9 3.1274 no . .
As1 H12 3.0558 no . .
As1 H16 2.8823 no . .
N1 H8 3.2273 no . .
N2 H11 3.2228 no . .
C1 H8 3.2381 no . .
C1 H12 2.7068 no . .
C2 H6 3.2240 no . .
C2 H7 3.1992 no . .
C2 H11 2.7654 no . .
C2 H12 3.4049 no . .
C3 H8 2.7803 no . .
C3 H9 3.2156 no . .
C3 H10 3.2025 no . .
C4 H11 3.2384 no . .
C5 H13 3.2419 no . .
C5 H15 3.2365 no . .
C6 H7 3.0986 no . .
C6 H12 3.0083 no . .
C7 H6 3.1022 no . .
C8 H11 2.9168 no . .
C9 H10 3.1067 no . .
C10 H9 3.1072 no . .
C11 H8 2.9244 no . .
C12 H14 3.2349 no . .
C12 H16 3.2337 no . .
C13 H15 3.2214 no . .
C14 H12 3.2355 no . .
C14 H16 3.2172 no . .
C15 H13 3.2198 no . .
C16 H12 3.2351 no . .
C16 H14 3.2197 no . .
H6 H12 3.0947 no . .
H7 H8 2.2851 no . .
H8 H11 2.4419 no . .
H9 H16 3.3979 no . .
H10 H11 2.2856 no . .
H12 H13 2.3184 no . .
H13 H14 2.3067 no . .
H14 H15 2.2950 no . .
H15 H16 2.3064 no . .
As1 H9 3.1756 no . 3_666
As1 H10 3.4857 no . 4_564
As1 H15 3.2854 no . 4_554
N1 H11 3.3849 no . 4_564
N1 H12 2.7406 no . 3_766
N1 H13 3.3293 no . 3_766
N1 H14 3.5925 no . 1_554
N2 H10 3.3293 no . 3_676
N2 H15 2.9210 no . 2_656
N2 H16 2.8532 no . 2_656
C1 H10 3.4100 no . 4_564
C4 H16 3.5945 no . 3_666
C5 H8 3.5598 no . 4_565
C5 H11 3.0078 no . 4_565
C5 H14 3.2071 no . 4_554
C5 H15 3.1997 no . 4_554
C6 H11 3.4712 no . 4_564
C6 H14 3.3404 no . 1_554
C7 H11 3.5825 no . 4_564
C7 H12 3.1529 no . 3_766
C7 H13 3.4103 no . 2_756
C7 H13 3.3574 no . 3_766
C7 H14 3.4462 no . 2_756
C8 H7 3.5762 no . 4_565
C8 H12 3.5549 no . 4_564
C8 H13 3.2021 no . 2_756
C9 H15 3.2208 no . 2_656
C9 H16 3.5870 no . 2_656
C9 H16 3.3340 no . 3_666
C10 H10 3.3785 no . 3_676
C11 H9 3.5357 no . 4_564
C12 H7 3.1104 no . 3_766
C12 H8 2.9184 no . 4_565
C12 H11 3.0176 no . 4_565
C12 H14 3.0858 no . 4_554
C13 H6 3.4959 no . 4_555
C13 H7 3.5956 no . 2_746
C13 H7 3.0858 no . 3_766
C13 H8 3.3199 no . 4_565
C13 H11 3.0140 no . 4_565
C13 H14 3.4662 no . 4_554
C14 H6 3.3317 no . 1_556
C14 H6 3.1493 no . 4_555
C14 H7 3.4130 no . 2_746
C14 H11 3.0093 no . 4_565
C15 H6 3.5277 no . 4_555
C15 H10 3.0815 no . 4_565
C15 H11 2.9938 no . 4_565
C16 H10 3.3965 no . 4_565
C16 H11 2.9957 no . 4_565
C16 H15 3.2373 no . 4_554
H6 C13 3.4959 no . 4_554
H6 C14 3.3317 no . 1_554
H6 C14 3.1493 no . 4_554
H6 C15 3.5277 no . 4_554
H6 H14 2.7485 no . 1_554
H6 H14 3.1724 no . 4_554
H7 C8 3.5762 no . 4_564
H7 C12 3.1104 no . 3_766
H7 C13 3.5956 no . 2_756
H7 C13 3.0858 no . 3_766
H7 C14 3.4130 no . 2_756
H7 H8 3.4984 no . 4_564
H7 H12 2.8199 no . 3_766
H7 H13 3.0950 no . 2_756
H7 H13 2.7777 no . 3_766
H7 H14 2.7228 no . 2_756
H8 C5 3.5598 no . 4_564
H8 C12 2.9184 no . 4_564
H8 C13 3.3199 no . 4_564
H8 H7 3.4984 no . 4_565
H8 H12 2.7414 no . 4_564
H8 H13 2.7367 no . 2_756
H8 H13 3.4149 no . 4_564
H9 As1 3.1756 no . 3_666
H9 C11 3.5357 no . 4_565
H9 H15 2.9341 no . 2_656
H9 H16 3.3984 no . 2_656
H9 H16 3.2010 no . 3_666
H10 As1 3.4857 no . 4_565
H10 N2 3.3293 no . 3_676
H10 C1 3.4100 no . 4_565
H10 C10 3.3785 no . 3_676
H10 C15 3.0815 no . 4_564
H10 C16 3.3965 no . 4_564
H10 H10 2.9987 no . 3_676
H10 H15 2.9494 no . 4_564
H10 H16 3.4869 no . 4_564
H11 N1 3.3849 no . 4_565
H11 C5 3.0078 no . 4_564
H11 C6 3.4712 no . 4_565
H11 C7 3.5825 no . 4_565
H11 C12 3.0176 no . 4_564
H11 C13 3.0140 no . 4_564
H11 C14 3.0093 no . 4_564
H11 C15 2.9938 no . 4_564
H11 C16 2.9957 no . 4_564
H11 H12 3.5494 no . 4_564
H11 H13 3.5396 no . 4_564
H11 H14 3.5399 no . 4_564
H11 H15 3.5093 no . 4_564
H11 H16 3.5195 no . 4_564
H12 N1 2.7406 no . 3_766
H12 C7 3.1529 no . 3_766
H12 C8 3.5549 no . 4_565
H12 H7 2.8199 no . 3_766
H12 H8 2.7414 no . 4_565
H12 H11 3.5494 no . 4_565
H12 H14 3.2842 no . 4_554
H13 N1 3.3293 no . 3_766
H13 C7 3.4103 no . 2_746
H13 C7 3.3574 no . 3_766
H13 C8 3.2021 no . 2_746
H13 H7 3.0950 no . 2_746
H13 H7 2.7777 no . 3_766
H13 H8 2.7367 no . 2_746
H13 H8 3.4149 no . 4_565
H13 H11 3.5396 no . 4_565
H13 H13 2.9878 no . 3_767
H14 N1 3.5925 no . 1_556
H14 C5 3.2071 no . 4_555
H14 C6 3.3404 no . 1_556
H14 C7 3.4462 no . 2_746
H14 C12 3.0858 no . 4_555
H14 C13 3.4662 no . 4_555
H14 H6 2.7485 no . 1_556
H14 H6 3.1724 no . 4_555
H14 H7 2.7228 no . 2_746
H14 H11 3.5399 no . 4_565
H14 H12 3.2842 no . 4_555
H15 As1 3.2854 no . 4_555
H15 N2 2.9210 no . 2_646
H15 C5 3.1997 no . 4_555
H15 C9 3.2208 no . 2_646
H15 C16 3.2373 no . 4_555
H15 H9 2.9341 no . 2_646
H15 H10 2.9494 no . 4_565
H15 H11 3.5093 no . 4_565
H15 H16 3.1827 no . 4_555
H16 N2 2.8532 no . 2_646
H16 C4 3.5945 no . 3_666
H16 C9 3.5870 no . 2_646
H16 C9 3.3340 no . 3_666
H16 H9 3.3984 no . 2_646
H16 H9 3.2010 no . 3_666
H16 H10 3.4869 no . 4_565
H16 H11 3.5195 no . 4_565
H16 H15 3.1827 no . 4_554
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
C1 As1 C4 C3 6.87(14) no . . . .
C1 As1 C4 C9 179.88(19) no . . . .
C4 As1 C1 C2 -5.90(14) no . . . .
C4 As1 C1 C6 179.71(19) no . . . .
C1 As1 C5 C12 1.2(2) no . . . .
C1 As1 C5 C16 -177.46(16) no . . . .
C5 As1 C1 C2 -106.53(15) no . . . .
C5 As1 C1 C6 79.1(2) no . . . .
C4 As1 C5 C12 -86.17(19) no . . . .
C4 As1 C5 C16 95.20(17) no . . . .
C5 As1 C4 C3 107.64(15) no . . . .
C5 As1 C4 C9 -79.35(19) no . . . .
C6 N1 C7 C8 -0.3(4) no . . . .
C7 N1 C6 C1 0.3(4) no . . . .
C9 N2 C10 C11 -1.7(4) no . . . .
C10 N2 C9 C4 0.4(4) no . . . .
As1 C1 C2 C3 3.8(2) no . . . .
As1 C1 C2 C8 -175.07(13) no . . . .
As1 C1 C6 N1 174.00(16) no . . . .
C2 C1 C6 N1 -0.1(4) no . . . .
C6 C1 C2 C3 178.84(19) no . . . .
C6 C1 C2 C8 -0.0(3) no . . . .
C1 C2 C3 C4 1.8(3) no . . . .
C1 C2 C3 C11 -177.39(18) no . . . .
C1 C2 C8 C7 0.0(3) no . . . .
C3 C2 C8 C7 -178.68(19) no . . . .
C8 C2 C3 C4 -179.4(2) no . . . .
C8 C2 C3 C11 1.4(4) no . . . .
C2 C3 C4 As1 -6.5(2) no . . . .
C2 C3 C4 C9 179.63(16) no . . . .
C2 C3 C11 C10 179.17(18) no . . . .
C4 C3 C11 C10 0.0(3) no . . . .
C11 C3 C4 As1 172.74(16) no . . . .
C11 C3 C4 C9 -1.1(3) no . . . .
As1 C4 C9 N2 -171.75(15) no . . . .
C3 C4 C9 N2 0.9(3) no . . . .
As1 C5 C12 C13 -178.93(15) no . . . .
As1 C5 C16 C15 179.16(16) no . . . .
C12 C5 C16 C15 0.5(4) no . . . .
C16 C5 C12 C13 -0.3(4) no . . . .
N1 C7 C8 C2 0.1(4) no . . . .
N2 C10 C11 C3 1.5(4) no . . . .
C5 C12 C13 C14 0.4(4) no . . . .
C12 C13 C14 C15 -0.7(4) no . . . .
C13 C14 C15 C16 0.8(4) no . . . .
C14 C15 C16 C5 -0.7(4) no . . . .
