#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:01:16 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229752 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/56/7045674.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_7045674
loop_
_publ_author_name
'Bresien, J.'
'Hinz, A.'
'Schulz, A.'
'Villinger, A.'
_publ_section_title
;
 Trapping of transient, heavy pnictogen-centred biradicals.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4433
_journal_page_last               4436
_journal_paper_doi               10.1039/c8dt00487k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C62 H60 As2 N2'
_chemical_formula_sum            'C62 H60 As2 N2'
_chemical_formula_weight         982.96
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-12-21 deposited with the CCDC.
2018-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.1460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.1246(3)
_cell_length_b                   11.4075(2)
_cell_length_c                   23.8632(4)
_cell_measurement_reflns_used    8152
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      62.569
_cell_measurement_theta_min      4.435
_cell_volume                     4871.14(14)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker-Nonius Apex X8-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            44970
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    1.415
_exptl_absorpt_correction_T_max  0.8486
_exptl_absorpt_correction_T_min  0.7367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         8809
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0437P)²+2.2152P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0912
_reflns_number_gt                6399
_reflns_number_total             8809
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c8dt00487k2.cif
_cod_data_source_block           is_ah037
_cod_depositor_comments
'Adding full bibliography for 7045674--7045676.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7045674
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.469807(9) 0.196199(15) 0.193360(7) 0.01655(5) Uani 1 1 d . . .
N1 N 0.56079(7) 0.14938(12) 0.23726(5) 0.0165(3) Uani 1 1 d . . .
C1 C 0.63305(8) 0.14119(13) 0.22342(7) 0.0155(3) Uani 1 1 d . . .
C2 C 0.69339(9) 0.10689(14) 0.26538(7) 0.0192(3) Uani 1 1 d . . .
C3 C 0.76486(9) 0.09526(16) 0.25142(8) 0.0245(3) Uani 1 1 d . . .
H3 H 0.8050 0.0739 0.2803 0.029 Uiso 1 1 calc R . .
C4 C 0.77925(10) 0.11375(17) 0.19704(8) 0.0275(4) Uani 1 1 d . . .
H4 H 0.8284 0.1057 0.1884 0.033 Uiso 1 1 calc R . .
C5 C 0.72039(10) 0.14429(16) 0.15560(8) 0.0243(3) Uani 1 1 d . . .
H5 H 0.7294 0.1562 0.1179 0.029 Uiso 1 1 calc R . .
C6 C 0.64781(9) 0.15822(14) 0.16752(7) 0.0180(3) Uani 1 1 d . . .
C7 C 0.68544(9) 0.07324(15) 0.32466(7) 0.0214(3) Uani 1 1 d . . .
C8 C 0.65345(10) -0.03517(17) 0.33458(8) 0.0269(4) Uani 1 1 d . . .
C9 C 0.65470(11) -0.0719(2) 0.39017(9) 0.0363(5) Uani 1 1 d . . .
H9 H 0.6333 -0.1456 0.3969 0.044 Uiso 1 1 calc R . .
C10 C 0.68612(11) -0.0048(2) 0.43601(9) 0.0411(6) Uani 1 1 d . . .
C11 C 0.71601(11) 0.1028(2) 0.42550(8) 0.0375(5) Uani 1 1 d . . .
H11 H 0.7365 0.1506 0.4567 0.045 Uiso 1 1 calc R . .
C12 C 0.71704(10) 0.14354(18) 0.37049(8) 0.0284(4) Uani 1 1 d . . .
C13 C 0.61982(13) -0.11264(17) 0.28621(9) 0.0381(5) Uani 1 1 d . . .
H13A H 0.5781 -0.0718 0.2632 0.057 Uiso 1 1 calc R . .
H13B H 0.6017 -0.1852 0.3013 0.057 Uiso 1 1 calc R . .
H13C H 0.6578 -0.1315 0.2626 0.057 Uiso 1 1 calc R . .
C14 C 0.68922(15) -0.0508(3) 0.49610(10) 0.0646(9) Uani 1 1 d . . .
H14A H 0.6430 -0.0932 0.4990 0.097 Uiso 1 1 calc R . .
H14B H 0.6947 0.0151 0.5228 0.097 Uiso 1 1 calc R . .
H14C H 0.7319 -0.1038 0.5053 0.097 Uiso 1 1 calc R . .
C15 C 0.75372(13) 0.2594(2) 0.36101(10) 0.0415(5) Uani 1 1 d . . .
H15A H 0.8053 0.2457 0.3552 0.062 Uiso 1 1 calc R . .
H15B H 0.7536 0.3098 0.3943 0.062 Uiso 1 1 calc R . .
H15C H 0.7260 0.2979 0.3274 0.062 Uiso 1 1 calc R . .
C16 C 0.58844(9) 0.18960(14) 0.11925(7) 0.0174(3) Uani 1 1 d . . .
C17 C 0.58315(9) 0.30535(15) 0.09907(7) 0.0207(3) Uani 1 1 d . . .
C18 C 0.52694(10) 0.33332(16) 0.05420(8) 0.0246(4) Uani 1 1 d . . .
H18 H 0.5225 0.4119 0.0409 0.030 Uiso 1 1 calc R . .
C19 C 0.47706(10) 0.24933(18) 0.02836(7) 0.0261(4) Uani 1 1 d . . .
C20 C 0.48681(10) 0.13401(16) 0.04657(7) 0.0241(3) Uani 1 1 d . . .
H20 H 0.4551 0.0750 0.0277 0.029 Uiso 1 1 calc R . .
C21 C 0.54148(9) 0.10249(15) 0.09152(7) 0.0204(3) Uani 1 1 d . . .
C22 C 0.63612(10) 0.39865(16) 0.12569(9) 0.0300(4) Uani 1 1 d . . .
H22A H 0.6856 0.3855 0.1153 0.045 Uiso 1 1 calc R . .
H22B H 0.6397 0.3953 0.1671 0.045 Uiso 1 1 calc R . .
H22C H 0.6176 0.4759 0.1121 0.045 Uiso 1 1 calc R . .
C23 C 0.41255(12) 0.2844(2) -0.01611(9) 0.0391(5) Uani 1 1 d . . .
H23A H 0.4271 0.3515 -0.0376 0.059 Uiso 1 1 calc R . .
H23B H 0.3698 0.3061 0.0022 0.059 Uiso 1 1 calc R . .
H23C H 0.3987 0.2185 -0.0420 0.059 Uiso 1 1 calc R . .
C24 C 0.54829(11) -0.02295(15) 0.11144(8) 0.0286(4) Uani 1 1 d . . .
H24A H 0.5343 -0.0286 0.1494 0.043 Uiso 1 1 calc R . .
H24B H 0.6000 -0.0494 0.1129 0.043 Uiso 1 1 calc R . .
H24C H 0.5150 -0.0725 0.0850 0.043 Uiso 1 1 calc R . .
C25 C 0.48600(10) 0.36391(14) 0.22223(7) 0.0219(3) Uani 1 1 d . . .
C26A C 0.4600(11) 0.4544(19) 0.1780(10) 0.0246(11) Uani 0.322(14) 1 d PD A 1
C27A C 0.4040(10) 0.4321(14) 0.1324(8) 0.0316(12) Uani 0.322(14) 1 d PD A 1
H27A H 0.3780 0.3596 0.1300 0.038 Uiso 0.322(14) 1 calc PR A 1
C28A C 0.3861(8) 0.5162(14) 0.0899(7) 0.0431(16) Uani 0.322(14) 1 d PD A 1
H28A H 0.3471 0.5016 0.0591 0.052 Uiso 0.322(14) 1 calc PR A 1
C29A C 0.4247(9) 0.6197(13) 0.0926(6) 0.0486(18) Uani 0.322(14) 1 d PD A 1
H29A H 0.4125 0.6762 0.0634 0.058 Uiso 0.322(14) 1 calc PR A 1
C30A C 0.4804(9) 0.6425(13) 0.1365(7) 0.0448(15) Uani 0.322(14) 1 d PD A 1
H30A H 0.5061 0.7153 0.1380 0.054 Uiso 0.322(14) 1 calc PR A 1
C31A C 0.5001(10) 0.5600(16) 0.1795(8) 0.0349(12) Uani 0.322(14) 1 d PD A 1
H31A H 0.5401 0.5751 0.2095 0.042 Uiso 0.322(14) 1 calc PR A 1
C26B C 0.4747(5) 0.4627(8) 0.1823(4) 0.0246(11) Uani 0.678(14) 1 d PD A 2
C27B C 0.4196(4) 0.4553(7) 0.1347(3) 0.0316(12) Uani 0.678(14) 1 d PD A 2
H27B H 0.3890 0.3873 0.1294 0.038 Uiso 0.678(14) 1 calc PR A 2
C28B C 0.4080(4) 0.5448(7) 0.0944(3) 0.0431(16) Uani 0.678(14) 1 d PD A 2
H28B H 0.3699 0.5377 0.0622 0.052 Uiso 0.678(14) 1 calc PR A 2
C29B C 0.4523(5) 0.6438(6) 0.1017(3) 0.0486(18) Uani 0.678(14) 1 d PD A 2
H29B H 0.4454 0.7046 0.0741 0.058 Uiso 0.678(14) 1 calc PR A 2
C30B C 0.5067(5) 0.6544(5) 0.1489(3) 0.0448(15) Uani 0.678(14) 1 d PD A 2
H30B H 0.5364 0.7233 0.1541 0.054 Uiso 0.678(14) 1 calc PR A 2
C31B C 0.5183(4) 0.5656(7) 0.1889(4) 0.0349(12) Uani 0.678(14) 1 d PD A 2
H31B H 0.5561 0.5741 0.2211 0.042 Uiso 0.678(14) 1 calc PR 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'
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
N1 As1 N1 77.71(6) . 2_655
N1 As1 C25 90.68(6) . .
N1 As1 C25 90.89(6) 2_655 .
N1 As1 As1 43.73(4) . 2_655
N1 As1 As1 43.18(4) 2_655 2_655
C25 As1 As1 69.78(5) . 2_655
C1 N1 As1 130.89(11) . .
C1 N1 As1 129.40(11) . 2_655
As1 N1 As1 93.08(6) . 2_655
N1 C1 C6 122.41(14) . .
N1 C1 C2 119.79(14) . .
C6 C1 C2 117.66(14) . .
C3 C2 C1 120.01(15) . .
C3 C2 C7 115.77(14) . .
C1 C2 C7 124.09(14) . .
C4 C3 C2 122.12(16) . .
C4 C3 H3 118.9 . .
C2 C3 H3 118.9 . .
C5 C4 C3 118.21(16) . .
C5 C4 H4 120.9 . .
C3 C4 H4 120.9 . .
C4 C5 C6 121.90(16) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 120.07(15) . .
C5 C6 C16 117.22(14) . .
C1 C6 C16 122.71(14) . .
C8 C7 C12 120.09(17) . .
C8 C7 C2 119.40(16) . .
C12 C7 C2 120.14(16) . .
C9 C8 C7 118.91(19) . .
C9 C8 C13 119.95(18) . .
C7 C8 C13 121.13(16) . .
C10 C9 C8 122.1(2) . .
C10 C9 H9 118.9 . .
C8 C9 H9 118.9 . .
C11 C10 C9 118.22(18) . .
C11 C10 C14 121.4(2) . .
C9 C10 C14 120.3(2) . .
C10 C11 C12 122.1(2) . .
C10 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C11 C12 C7 118.54(19) . .
C11 C12 C15 120.25(19) . .
C7 C12 C15 121.19(17) . .
C8 C13 H13A 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C8 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C10 C14 H14A 109.5 . .
C10 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C10 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C21 120.06(15) . .
C17 C16 C6 119.53(14) . .
C21 C16 C6 120.25(14) . .
C18 C17 C16 118.76(15) . .
C18 C17 C22 120.14(16) . .
C16 C17 C22 121.09(15) . .
C19 C18 C17 121.80(17) . .
C19 C18 H18 119.1 . .
C17 C18 H18 119.1 . .
C20 C19 C18 118.18(16) . .
C20 C19 C23 121.30(17) . .
C18 C19 C23 120.45(18) . .
C21 C20 C19 121.84(16) . .
C21 C20 H20 119.1 . .
C19 C20 H20 119.1 . .
C20 C21 C16 119.08(16) . .
C20 C21 C24 120.19(16) . .
C16 C21 C24 120.69(15) . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C19 C23 H23A 109.5 . .
C19 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C19 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C25 C25 C26B 129.2(4) 2_655 .
C25 C25 C26A 136.3(9) 2_655 .
C26B C25 C26A 11.0(8) . .
C25 C25 As1 110.20(5) 2_655 .
C26B C25 As1 120.2(4) . .
C26A C25 As1 113.4(9) . .
C27A C26A C31A 119.2(13) . .
C27A C26A C25 122.4(13) . .
C31A C26A C25 118.0(12) . .
C26A C27A C28A 120.0(12) . .
C26A C27A H27A 120.0 . .
C28A C27A H27A 120.0 . .
C29A C28A C27A 120.0(12) . .
C29A C28A H28A 120.0 . .
C27A C28A H28A 120.0 . .
C30A C29A C28A 120.9(12) . .
C30A C29A H29A 119.6 . .
C28A C29A H29A 119.6 . .
C29A C30A C31A 120.6(11) . .
C29A C30A H30A 119.7 . .
C31A C30A H30A 119.7 . .
C30A C31A C26A 119.3(12) . .
C30A C31A H31A 120.4 . .
C26A C31A H31A 120.4 . .
C27B C26B C31B 117.3(6) . .
C27B C26B C25 119.4(5) . .
C31B C26B C25 123.3(5) . .
C26B C27B C28B 121.9(5) . .
C26B C27B H27B 119.0 . .
C28B C27B H27B 119.0 . .
C29B C28B C27B 119.4(5) . .
C29B C28B H28B 120.3 . .
C27B C28B H28B 120.3 . .
C30B C29B C28B 120.0(5) . .
C30B C29B H29B 120.0 . .
C28B C29B H29B 120.0 . .
C29B C30B C31B 120.7(4) . .
C29B C30B H30B 119.7 . .
C31B C30B H30B 119.7 . .
C30B C31B C26B 120.8(5) . .
C30B C31B H31B 119.6 . .
C26B C31B H31B 119.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1 N1 1.8849(13) .
As1 N1 1.9042(13) 2_655
As1 C25 2.0388(17) .
As1 As1 2.7504(3) 2_655
N1 C1 1.404(2) .
N1 As1 1.9042(13) 2_655
C1 C6 1.415(2) .
C1 C2 1.415(2) .
C2 C3 1.394(2) .
C2 C7 1.495(2) .
C3 C4 1.380(2) .
C3 H3 0.9500 .
C4 C5 1.379(2) .
C4 H4 0.9500 .
C5 C6 1.398(2) .
C5 H5 0.9500 .
C6 C16 1.490(2) .
C7 C8 1.402(3) .
C7 C12 1.403(3) .
C8 C9 1.388(3) .
C8 C13 1.504(3) .
C9 C10 1.381(3) .
C9 H9 0.9500 .
C10 C11 1.381(3) .
C10 C14 1.519(3) .
C11 C12 1.396(3) .
C11 H11 0.9500 .
C12 C15 1.513(3) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.404(2) .
C16 C21 1.404(2) .
C17 C18 1.392(2) .
C17 C22 1.505(2) .
C18 C19 1.392(3) .
C18 H18 0.9500 .
C19 C20 1.388(3) .
C19 C23 1.503(3) .
C20 C21 1.387(2) .
C20 H20 0.9500 .
C21 C24 1.507(2) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C25 1.342(4) 2_655
C25 C26B 1.469(8) .
C25 C26A 1.497(18) .
C26A C27A 1.389(13) .
C26A C31A 1.404(13) .
C27A C28A 1.395(13) .
C27A H27A 0.9500 .
C28A C29A 1.368(12) .
C28A H28A 0.9500 .
C29A C30A 1.359(13) .
C29A H29A 0.9500 .
C30A C31A 1.397(13) .
C30A H30A 0.9500 .
C31A H31A 0.9500 .
C26B C27B 1.392(6) .
C26B C31B 1.409(6) .
C27B C28B 1.396(6) .
C27B H27B 0.9500 .
C28B C29B 1.381(6) .
C28B H28B 0.9500 .
C29B C30B 1.380(7) .
C29B H29B 0.9500 .
C30B C31B 1.384(6) .
C30B H30B 0.9500 .
C31B H31B 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_4
N1 As1 N1 C1 175.85(12) 2_655 .
C25 As1 N1 C1 -93.39(15) . .
As1 As1 N1 C1 -152.57(17) 2_655 .
N1 As1 N1 As1 -31.58(8) 2_655 2_655
C25 As1 N1 As1 59.18(6) . 2_655
As1 N1 C1 C6 -6.7(2) . .
As1 N1 C1 C6 -150.15(13) 2_655 .
As1 N1 C1 C2 177.79(12) . .
As1 N1 C1 C2 34.3(2) 2_655 .
N1 C1 C2 C3 178.10(15) . .
C6 C1 C2 C3 2.4(2) . .
N1 C1 C2 C7 2.5(2) . .
C6 C1 C2 C7 -173.26(15) . .
C1 C2 C3 C4 -1.4(3) . .
C7 C2 C3 C4 174.54(17) . .
C2 C3 C4 C5 -0.2(3) . .
C3 C4 C5 C6 0.9(3) . .
C4 C5 C6 C1 0.1(3) . .
C4 C5 C6 C16 -179.11(17) . .
N1 C1 C6 C5 -177.36(15) . .
C2 C1 C6 C5 -1.7(2) . .
N1 C1 C6 C16 1.8(2) . .
C2 C1 C6 C16 177.46(14) . .
C3 C2 C7 C8 -102.36(19) . .
C1 C2 C7 C8 73.4(2) . .
C3 C2 C7 C12 70.7(2) . .
C1 C2 C7 C12 -113.51(19) . .
C12 C7 C8 C9 -1.0(3) . .
C2 C7 C8 C9 172.11(16) . .
C12 C7 C8 C13 -179.45(17) . .
C2 C7 C8 C13 -6.4(2) . .
C7 C8 C9 C10 0.3(3) . .
C13 C8 C9 C10 178.84(19) . .
C8 C9 C10 C11 1.0(3) . .
C8 C9 C10 C14 -177.38(19) . .
C9 C10 C11 C12 -1.7(3) . .
C14 C10 C11 C12 176.6(2) . .
C10 C11 C12 C7 1.1(3) . .
C10 C11 C12 C15 -177.03(19) . .
C8 C7 C12 C11 0.3(3) . .
C2 C7 C12 C11 -172.75(16) . .
C8 C7 C12 C15 178.39(18) . .
C2 C7 C12 C15 5.4(3) . .
C5 C6 C16 C17 -77.1(2) . .
C1 C6 C16 C17 103.71(18) . .
C5 C6 C16 C21 98.44(19) . .
C1 C6 C16 C21 -80.8(2) . .
C21 C16 C17 C18 5.0(2) . .
C6 C16 C17 C18 -179.51(15) . .
C21 C16 C17 C22 -176.01(16) . .
C6 C16 C17 C22 -0.5(2) . .
C16 C17 C18 C19 -1.2(3) . .
C22 C17 C18 C19 179.77(17) . .
C17 C18 C19 C20 -3.2(3) . .
C17 C18 C19 C23 174.06(18) . .
C18 C19 C20 C21 3.9(3) . .
C23 C19 C20 C21 -173.30(18) . .
C19 C20 C21 C16 -0.2(3) . .
C19 C20 C21 C24 177.62(16) . .
C17 C16 C21 C20 -4.3(2) . .
C6 C16 C21 C20 -179.77(15) . .
C17 C16 C21 C24 177.87(15) . .
C6 C16 C21 C24 2.4(2) . .
N1 As1 C25 C25 -40.53(17) . 2_655
N1 As1 C25 C25 37.20(17) 2_655 2_655
As1 As1 C25 C25 -1.28(15) 2_655 2_655
N1 As1 C25 C26B 133.2(5) . .
N1 As1 C25 C26B -149.1(5) 2_655 .
As1 As1 C25 C26B 172.4(5) 2_655 .
N1 As1 C25 C26A 142.9(10) . .
N1 As1 C25 C26A -139.4(10) 2_655 .
As1 As1 C25 C26A -177.9(10) 2_655 .
C25 C25 C26A C27A -149.4(17) 2_655 .
C26B C25 C26A C27A 157(10) . .
As1 C25 C26A C27A 26(3) . .
C25 C25 C26A C31A 38(3) 2_655 .
C26B C25 C26A C31A -16(7) . .
As1 C25 C26A C31A -146.2(19) . .
C31A C26A C27A C28A -3(4) . .
C25 C26A C27A C28A -174.8(19) . .
C26A C27A C28A C29A 1(3) . .
C27A C28A C29A C30A -1(3) . .
C28A C29A C30A C31A 1(3) . .
C29A C30A C31A C26A -2(3) . .
C27A C26A C31A C30A 3(4) . .
C25 C26A C31A C30A 175.5(19) . .
C25 C25 C26B C27B -154.0(7) 2_655 .
C26A C25 C26B C27B -20(8) . .
As1 C25 C26B C27B 33.6(11) . .
C25 C25 C26B C31B 27.6(14) 2_655 .
C26A C25 C26B C31B 161(9) . .
As1 C25 C26B C31B -144.8(9) . .
C31B C26B C27B C28B 0.7(16) . .
C25 C26B C27B C28B -177.9(8) . .
C26B C27B C28B C29B 0.1(13) . .
C27B C28B C29B C30B -1.1(10) . .
C28B C29B C30B C31B 1.1(11) . .
C29B C30B C31B C26B -0.3(14) . .
C27B C26B C31B C30B -0.6(16) . .
C25 C26B C31B C30B 177.9(9) . .
