#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/93/4309356.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_4309356
loop_
_publ_author_name
'Neil Burford'
'Jeff C. Landry'
'Michael J. Ferguson'
'Robert McDonald'
_publ_contact_author_address
;Department of Chemistry
Dalhousie University
Halifax, NS
CANADA
B3H 4J3
;
_publ_contact_author_email       neil.burford@dal.ca
_publ_contact_author_fax         902-494-1310
_publ_contact_author_name        'Neil Burford'
_publ_contact_author_phone       902-494-3190
_publ_section_title
;
Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes
from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of
Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5897
_journal_page_last               5902
_journal_paper_doi               10.1021/ic050532m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C36 H51 As3 Cl3 N3'
_chemical_formula_sum            'C36 H51 As3 Cl3 N3'
_chemical_formula_weight         856.91
_chemical_melting_point          418.5(15)
_chemical_name_common            'DippNAsCl trimer'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.852(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2049(14)
_cell_length_b                   21.386(2)
_cell_length_c                   16.3283(19)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.364
_cell_measurement_theta_min      2.332
_cell_volume                     3955.7(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30028
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.65
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.750
_exptl_absorpt_correction_T_max  0.8100
_exptl_absorpt_correction_T_min  0.4059
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   emperical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Fragment
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.817
_refine_diff_density_min         -0.295
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         8104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0310
_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)+(0.0376P)²+0.7467P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                6329
_reflns_number_total             8104
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050532msi20050407_085836_5.cif
_cod_data_source_block           dal04g2
_cod_depositor_comments
;
The following automatic conversions were performed:
_chemical_melting_point value '417-420' changed to '418.5(15)' - took
average value and fixed precision.
Automatic conversion script
Id: cif_fix_values 1391 2010-09-07 12:51:13Z saulius 
;
_cod_original_cell_volume        3955.7(8)
_cod_database_code               4309356
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.12775(2) 0.038976(12) 0.182744(17) 0.02683(7) Uani 1 1 d . . .
As2 As 0.04029(2) 0.064038(12) 0.352504(17) 0.02642(7) Uani 1 1 d . . .
As3 As 0.27139(2) 0.142019(13) 0.340703(17) 0.02944(8) Uani 1 1 d . . .
Cl1 Cl 0.27248(7) -0.03080(3) 0.20867(5) 0.04605(19) Uani 1 1 d . . .
Cl2 Cl -0.11713(6) 0.12002(4) 0.26370(5) 0.04490(19) Uani 1 1 d . . .
Cl3 Cl 0.39119(7) 0.06369(4) 0.41020(5) 0.0473(2) Uani 1 1 d . . .
N1 N 0.08011(18) 0.01747(9) 0.27398(13) 0.0247(5) Uani 1 1 d . . .
N2 N 0.15133(18) 0.12642(9) 0.37918(13) 0.0248(5) Uani 1 1 d . . .
N3 N 0.20603(18) 0.11184(9) 0.22744(13) 0.0242(4) Uani 1 1 d . . .
C11 C 0.0294(2) -0.04555(12) 0.26113(17) 0.0283(6) Uani 1 1 d . . .
C12 C -0.0749(2) -0.05862(13) 0.18919(17) 0.0318(6) Uani 1 1 d . . .
C13 C -0.1142(3) -0.12049(14) 0.1772(2) 0.0445(8) Uani 1 1 d . . .
H13 H -0.1846 -0.1305 0.1288 0.053 Uiso 1 1 calc R . .
C14 C -0.0543(3) -0.16700(15) 0.2331(2) 0.0541(9) Uani 1 1 d . . .
H14 H -0.0829 -0.2087 0.2229 0.065 Uiso 1 1 calc R . .
C15 C 0.0474(3) -0.15373(14) 0.3043(2) 0.0472(8) Uani 1 1 d . . .
H15 H 0.0878 -0.1865 0.3431 0.057 Uiso 1 1 calc R . .
C16 C 0.0918(3) -0.09321(13) 0.32024(18) 0.0352(6) Uani 1 1 d . . .
C17 C -0.1488(2) -0.01089(14) 0.12278(17) 0.0343(6) Uani 1 1 d . . .
H17 H -0.1110 0.0310 0.1406 0.041 Uiso 1 1 calc R . .
C17A C -0.1528(3) -0.02518(15) 0.02990(18) 0.0445(8) Uani 1 1 d . . .
H17A H -0.0722 -0.0264 0.0305 0.053 Uiso 1 1 calc R . .
H17B H -0.1978 0.0075 -0.0108 0.053 Uiso 1 1 calc R . .
H17C H -0.1909 -0.0658 0.0105 0.053 Uiso 1 1 calc R . .
C17B C -0.2740(3) -0.00707(18) 0.1218(2) 0.0574(9) Uani 1 1 d . . .
H17D H -0.2710 0.0010 0.1817 0.069 Uiso 1 1 calc R . .
H17E H -0.3150 -0.0467 0.1004 0.069 Uiso 1 1 calc R . .
H17F H -0.3166 0.0269 0.0827 0.069 Uiso 1 1 calc R . .
C18 C 0.2022(3) -0.08149(14) 0.4003(2) 0.0478(8) Uani 1 1 d . . .
H18 H 0.2241 -0.0364 0.4001 0.057 Uiso 1 1 calc R . .
C18A C 0.3060(3) -0.12086(17) 0.4005(3) 0.0668(11) Uani 1 1 d . . .
H18A H 0.3228 -0.1116 0.3476 0.080 Uiso 1 1 calc R . .
H18B H 0.2865 -0.1653 0.4009 0.080 Uiso 1 1 calc R . .
H18C H 0.3755 -0.1111 0.4532 0.080 Uiso 1 1 calc R . .
C18B C 0.1793(4) -0.09404(19) 0.4846(2) 0.0708(11) Uani 1 1 d . . .
H18D H 0.1134 -0.0680 0.4850 0.085 Uiso 1 1 calc R . .
H18E H 0.2502 -0.0839 0.5360 0.085 Uiso 1 1 calc R . .
H18F H 0.1596 -0.1383 0.4868 0.085 Uiso 1 1 calc R . .
C21 C 0.1530(2) 0.16607(12) 0.45236(16) 0.0259(5) Uani 1 1 d . . .
C22 C 0.1951(2) 0.14178(12) 0.53927(16) 0.0277(6) Uani 1 1 d . . .
C23 C 0.1932(2) 0.18105(13) 0.60652(18) 0.0356(7) Uani 1 1 d . . .
H23 H 0.2184 0.1652 0.6650 0.043 Uiso 1 1 calc R . .
C24 C 0.1561(3) 0.24199(14) 0.59098(19) 0.0421(7) Uani 1 1 d . . .
H24 H 0.1574 0.2680 0.6385 0.050 Uiso 1 1 calc R . .
C25 C 0.1168(3) 0.26532(14) 0.50635(19) 0.0410(7) Uani 1 1 d . . .
H25 H 0.0918 0.3076 0.4961 0.049 Uiso 1 1 calc R . .
C26 C 0.1131(2) 0.22797(12) 0.43550(17) 0.0313(6) Uani 1 1 d . . .
C27 C 0.2441(2) 0.07620(12) 0.56423(17) 0.0309(6) Uani 1 1 d . . .
H27 H 0.2368 0.0536 0.5088 0.037 Uiso 1 1 calc R . .
C27A C 0.3751(3) 0.07783(14) 0.6244(2) 0.0442(8) Uani 1 1 d . . .
H27A H 0.4196 0.1010 0.5951 0.053 Uiso 1 1 calc R . .
H27B H 0.4055 0.0350 0.6364 0.053 Uiso 1 1 calc R . .
H27C H 0.3840 0.0985 0.6801 0.053 Uiso 1 1 calc R . .
C27B C 0.1740(3) 0.04012(15) 0.6087(2) 0.0493(8) Uani 1 1 d . . .
H27D H 0.0908 0.0385 0.5693 0.059 Uiso 1 1 calc R . .
H27E H 0.1809 0.0611 0.6638 0.059 Uiso 1 1 calc R . .
H27F H 0.2052 -0.0025 0.6218 0.059 Uiso 1 1 calc R . .
C28 C 0.0633(3) 0.25660(13) 0.34338(18) 0.0398(7) Uani 1 1 d . . .
H28 H 0.0591 0.2229 0.2999 0.048 Uiso 1 1 calc R . .
C28A C 0.1441(3) 0.30814(15) 0.3333(2) 0.0615(10) Uani 1 1 d . . .
H28A H 0.1114 0.3249 0.2731 0.074 Uiso 1 1 calc R . .
H28B H 0.2228 0.2908 0.3446 0.074 Uiso 1 1 calc R . .
H28C H 0.1501 0.3417 0.3756 0.074 Uiso 1 1 calc R . .
C28B C -0.0609(3) 0.28138(16) 0.3224(2) 0.0619(10) Uani 1 1 d . . .
H28D H -0.1122 0.2472 0.3266 0.074 Uiso 1 1 calc R . .
H28E H -0.0915 0.2986 0.2625 0.074 Uiso 1 1 calc R . .
H28F H -0.0592 0.3143 0.3647 0.074 Uiso 1 1 calc R . .
C31 C 0.2323(2) 0.14688(11) 0.15990(16) 0.0254(5) Uani 1 1 d . . .
C32 C 0.1397(2) 0.18046(12) 0.09616(17) 0.0294(6) Uani 1 1 d . . .
C33 C 0.1647(3) 0.21129(12) 0.03011(18) 0.0363(7) Uani 1 1 d . . .
H33 H 0.1034 0.2334 -0.0141 0.044 Uiso 1 1 calc R . .
C34 C 0.2762(3) 0.21059(13) 0.02702(18) 0.0393(7) Uani 1 1 d . . .
H34 H 0.2915 0.2325 -0.0182 0.047 Uiso 1 1 calc R . .
C35 C 0.3647(3) 0.17807(13) 0.08975(19) 0.0385(7) Uani 1 1 d . . .
H35 H 0.4415 0.1784 0.0878 0.046 Uiso 1 1 calc R . .
C36 C 0.3455(2) 0.14452(12) 0.15641(18) 0.0320(6) Uani 1 1 d . . .
C37 C 0.0156(3) 0.18375(13) 0.09551(19) 0.0375(7) Uani 1 1 d . . .
H37 H 0.0162 0.1650 0.1518 0.045 Uiso 1 1 calc R . .
C37A C -0.0719(3) 0.14636(16) 0.0183(2) 0.0547(9) Uani 1 1 d . . .
H37A H -0.0457 0.1028 0.0220 0.066 Uiso 1 1 calc R . .
H37B H -0.0751 0.1645 -0.0377 0.066 Uiso 1 1 calc R . .
H37C H -0.1505 0.1480 0.0214 0.066 Uiso 1 1 calc R . .
C37B C -0.0279(3) 0.25155(15) 0.0908(2) 0.0527(9) Uani 1 1 d . . .
H37D H -0.1084 0.2519 0.0904 0.063 Uiso 1 1 calc R . .
H37E H -0.0273 0.2713 0.0368 0.063 Uiso 1 1 calc R . .
H37F H 0.0244 0.2748 0.1423 0.063 Uiso 1 1 calc R . .
C38 C 0.4459(3) 0.10756(15) 0.2206(2) 0.0440(7) Uani 1 1 d . . .
H38 H 0.4128 0.0811 0.2564 0.053 Uiso 1 1 calc R . .
C38A C 0.5012(4) 0.06364(19) 0.1727(3) 0.0751(13) Uani 1 1 d . . .
H38A H 0.5656 0.0401 0.2161 0.090 Uiso 1 1 calc R . .
H38B H 0.5323 0.0882 0.1355 0.090 Uiso 1 1 calc R . .
H38C H 0.4411 0.0345 0.1357 0.090 Uiso 1 1 calc R . .
C38B C 0.5400(3) 0.15011(19) 0.2844(3) 0.0705(12) Uani 1 1 d . . .
H38D H 0.5034 0.1773 0.3154 0.085 Uiso 1 1 calc R . .
H38E H 0.5757 0.1758 0.2513 0.085 Uiso 1 1 calc R . .
H38F H 0.6011 0.1245 0.3274 0.085 Uiso 1 1 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 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'
Cl Cl 0.1484 0.1585 '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
N3 As1 N1 99.47(9) . . ?
N3 As1 Cl1 103.59(7) . . ?
N1 As1 Cl1 98.34(7) . . ?
N1 As2 N2 101.37(9) . . ?
N1 As2 Cl2 102.84(7) . . ?
N2 As2 Cl2 98.22(7) . . ?
N2 As3 N3 100.29(9) . . ?
N2 As3 Cl3 98.36(7) . . ?
N3 As3 Cl3 101.81(7) . . ?
C11 N1 As2 113.18(16) . . ?
C11 N1 As1 110.88(15) . . ?
As2 N1 As1 132.54(11) . . ?
C21 N2 As3 114.02(15) . . ?
C21 N2 As2 113.63(15) . . ?
As3 N2 As2 131.84(11) . . ?
C31 N3 As1 111.31(15) . . ?
C31 N3 As3 116.33(15) . . ?
As1 N3 As3 131.81(11) . . ?
C12 C11 C16 121.2(2) . . ?
C12 C11 N1 120.5(2) . . ?
C16 C11 N1 118.3(2) . . ?
C13 C12 C11 117.6(3) . . ?
C13 C12 C17 117.1(3) . . ?
C11 C12 C17 125.3(2) . . ?
C14 C13 C12 121.8(3) . . ?
C13 C14 C15 120.3(3) . . ?
C14 C15 C16 121.1(3) . . ?
C15 C16 C11 118.0(3) . . ?
C15 C16 C18 118.5(3) . . ?
C11 C16 C18 123.5(2) . . ?
C12 C17 C17B 111.7(2) . . ?
C12 C17 C17A 111.4(2) . . ?
C17B C17 C17A 109.8(2) . . ?
C16 C18 C18A 112.6(3) . . ?
C16 C18 C18B 110.4(3) . . ?
C18A C18 C18B 109.4(3) . . ?
C26 C21 C22 120.9(2) . . ?
C26 C21 N2 119.3(2) . . ?
C22 C21 N2 119.8(2) . . ?
C23 C22 C21 117.6(2) . . ?
C23 C22 C27 117.8(2) . . ?
C21 C22 C27 124.6(2) . . ?
C24 C23 C22 122.0(3) . . ?
C23 C24 C25 119.8(3) . . ?
C24 C25 C26 121.2(3) . . ?
C25 C26 C21 118.5(2) . . ?
C25 C26 C28 117.8(2) . . ?
C21 C26 C28 123.7(2) . . ?
C22 C27 C27B 111.2(2) . . ?
C22 C27 C27A 111.3(2) . . ?
C27B C27 C27A 110.1(2) . . ?
C28B C28 C26 111.1(3) . . ?
C28B C28 C28A 110.7(3) . . ?
C26 C28 C28A 111.1(2) . . ?
C36 C31 C32 121.1(2) . . ?
C36 C31 N3 120.4(2) . . ?
C32 C31 N3 118.4(2) . . ?
C33 C32 C31 117.8(3) . . ?
C33 C32 C37 118.7(2) . . ?
C31 C32 C37 123.5(2) . . ?
C34 C33 C32 121.8(3) . . ?
C35 C34 C33 119.4(3) . . ?
C34 C35 C36 122.1(3) . . ?
C35 C36 C31 117.8(3) . . ?
C35 C36 C38 119.0(3) . . ?
C31 C36 C38 123.2(2) . . ?
C32 C37 C37B 111.8(2) . . ?
C32 C37 C37A 111.7(2) . . ?
C37B C37 C37A 109.2(2) . . ?
C36 C38 C38B 111.8(3) . . ?
C36 C38 C38A 111.4(3) . . ?
C38B C38 C38A 110.5(3) . . ?
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 N3 1.831(2) . ?
As1 N1 1.848(2) . ?
As1 Cl1 2.2292(8) . ?
As2 N1 1.826(2) . ?
As2 N2 1.835(2) . ?
As2 Cl2 2.2701(8) . ?
As3 N2 1.827(2) . ?
As3 N3 1.837(2) . ?
As3 Cl3 2.2352(8) . ?
N1 C11 1.465(3) . ?
N2 C21 1.459(3) . ?
N3 C31 1.464(3) . ?
C11 C12 1.402(4) . ?
C11 C16 1.415(4) . ?
C12 C13 1.396(4) . ?
C12 C17 1.518(4) . ?
C13 C14 1.364(5) . ?
C14 C15 1.378(4) . ?
C15 C16 1.390(4) . ?
C16 C18 1.508(4) . ?
C17 C17B 1.525(4) . ?
C17 C17A 1.530(4) . ?
C18 C18A 1.520(5) . ?
C18 C18B 1.527(5) . ?
C21 C26 1.402(4) . ?
C21 C22 1.416(3) . ?
C22 C23 1.389(4) . ?
C22 C27 1.520(4) . ?
C23 C24 1.372(4) . ?
C24 C25 1.377(4) . ?
C25 C26 1.393(4) . ?
C26 C28 1.525(4) . ?
C27 C27B 1.522(4) . ?
C27 C27A 1.535(4) . ?
C28 C28B 1.520(4) . ?
C28 C28A 1.528(4) . ?
C31 C36 1.406(4) . ?
C31 C32 1.414(3) . ?
C32 C33 1.391(4) . ?
C32 C37 1.513(4) . ?
C33 C34 1.381(4) . ?
C34 C35 1.369(4) . ?
C35 C36 1.394(4) . ?
C36 C38 1.506(4) . ?
C37 C37B 1.536(4) . ?
C37 C37A 1.538(4) . ?
C38 C38B 1.531(5) . ?
C38 C38A 1.531(5) . ?
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
N2 As2 N1 C11 162.70(17) . . . . ?
Cl2 As2 N1 C11 -96.04(16) . . . . ?
N2 As2 N1 As1 -40.52(17) . . . . ?
Cl2 As2 N1 As1 60.75(15) . . . . ?
N3 As1 N1 C11 -171.26(17) . . . . ?
Cl1 As1 N1 C11 -65.88(16) . . . . ?
N3 As1 N1 As2 31.56(16) . . . . ?
Cl1 As1 N1 As2 136.94(14) . . . . ?
N3 As3 N2 C21 -156.52(17) . . . . ?
Cl3 As3 N2 C21 99.77(16) . . . . ?
N3 As3 N2 As2 32.35(17) . . . . ?
Cl3 As3 N2 As2 -71.36(15) . . . . ?
N1 As2 N2 C21 -170.75(16) . . . . ?
Cl2 As2 N2 C21 84.29(16) . . . . ?
N1 As2 N2 As3 0.41(17) . . . . ?
Cl2 As2 N2 As3 -104.55(14) . . . . ?
N1 As1 N3 C31 -167.66(16) . . . . ?
Cl1 As1 N3 C31 91.29(16) . . . . ?
N1 As1 N3 As3 21.32(16) . . . . ?
Cl1 As1 N3 As3 -79.73(15) . . . . ?
N2 As3 N3 C31 142.71(17) . . . . ?
Cl3 As3 N3 C31 -116.40(16) . . . . ?
N2 As3 N3 As1 -46.63(16) . . . . ?
Cl3 As3 N3 As1 54.26(15) . . . . ?
As2 N1 C11 C12 97.3(2) . . . . ?
As1 N1 C11 C12 -64.6(3) . . . . ?
As2 N1 C11 C16 -86.0(2) . . . . ?
As1 N1 C11 C16 112.1(2) . . . . ?
C16 C11 C12 C13 -0.9(4) . . . . ?
N1 C11 C12 C13 175.7(2) . . . . ?
C16 C11 C12 C17 179.3(2) . . . . ?
N1 C11 C12 C17 -4.1(4) . . . . ?
C11 C12 C13 C14 0.2(4) . . . . ?
C17 C12 C13 C14 180.0(3) . . . . ?
C12 C13 C14 C15 0.6(5) . . . . ?
C13 C14 C15 C16 -0.7(5) . . . . ?
C14 C15 C16 C11 0.0(5) . . . . ?
C14 C15 C16 C18 178.8(3) . . . . ?
C12 C11 C16 C15 0.8(4) . . . . ?
N1 C11 C16 C15 -175.8(2) . . . . ?
C12 C11 C16 C18 -178.0(3) . . . . ?
N1 C11 C16 C18 5.4(4) . . . . ?
C13 C12 C17 C17B 60.3(3) . . . . ?
C11 C12 C17 C17B -120.0(3) . . . . ?
C13 C12 C17 C17A -62.9(3) . . . . ?
C11 C12 C17 C17A 116.8(3) . . . . ?
C15 C16 C18 C18A 57.7(4) . . . . ?
C11 C16 C18 C18A -123.5(3) . . . . ?
C15 C16 C18 C18B -64.8(4) . . . . ?
C11 C16 C18 C18B 113.9(3) . . . . ?
As3 N2 C21 C26 77.3(3) . . . . ?
As2 N2 C21 C26 -109.9(2) . . . . ?
As3 N2 C21 C22 -102.5(2) . . . . ?
As2 N2 C21 C22 70.3(3) . . . . ?
C26 C21 C22 C23 1.2(4) . . . . ?
N2 C21 C22 C23 -179.0(2) . . . . ?
C26 C21 C22 C27 -177.7(2) . . . . ?
N2 C21 C22 C27 2.1(4) . . . . ?
C21 C22 C23 C24 -2.2(4) . . . . ?
C27 C22 C23 C24 176.8(3) . . . . ?
C22 C23 C24 C25 1.4(5) . . . . ?
C23 C24 C25 C26 0.5(5) . . . . ?
C24 C25 C26 C21 -1.5(4) . . . . ?
C24 C25 C26 C28 177.4(3) . . . . ?
C22 C21 C26 C25 0.6(4) . . . . ?
N2 C21 C26 C25 -179.2(2) . . . . ?
C22 C21 C26 C28 -178.2(3) . . . . ?
N2 C21 C26 C28 2.0(4) . . . . ?
C23 C22 C27 C27B 59.6(3) . . . . ?
C21 C22 C27 C27B -121.4(3) . . . . ?
C23 C22 C27 C27A -63.4(3) . . . . ?
C21 C22 C27 C27A 115.5(3) . . . . ?
C25 C26 C28 C28B -56.2(4) . . . . ?
C21 C26 C28 C28B 122.6(3) . . . . ?
C25 C26 C28 C28A 67.6(4) . . . . ?
C21 C26 C28 C28A -113.6(3) . . . . ?
As1 N3 C31 C36 -100.3(2) . . . . ?
As3 N3 C31 C36 72.2(3) . . . . ?
As1 N3 C31 C32 76.6(2) . . . . ?
As3 N3 C31 C32 -110.8(2) . . . . ?
C36 C31 C32 C33 -0.3(4) . . . . ?
N3 C31 C32 C33 -177.2(2) . . . . ?
C36 C31 C32 C37 178.9(2) . . . . ?
N3 C31 C32 C37 1.9(4) . . . . ?
C31 C32 C33 C34 -1.3(4) . . . . ?
C37 C32 C33 C34 179.6(2) . . . . ?
C32 C33 C34 C35 0.9(4) . . . . ?
C33 C34 C35 C36 1.0(4) . . . . ?
C34 C35 C36 C31 -2.5(4) . . . . ?
C34 C35 C36 C38 177.3(3) . . . . ?
C32 C31 C36 C35 2.1(4) . . . . ?
N3 C31 C36 C35 179.0(2) . . . . ?
C32 C31 C36 C38 -177.7(2) . . . . ?
N3 C31 C36 C38 -0.8(4) . . . . ?
C33 C32 C37 C37B -52.8(3) . . . . ?
C31 C32 C37 C37B 128.1(3) . . . . ?
C33 C32 C37 C37A 69.9(3) . . . . ?
C31 C32 C37 C37A -109.3(3) . . . . ?
C35 C36 C38 C38B 71.6(3) . . . . ?
C31 C36 C38 C38B -108.6(3) . . . . ?
C35 C36 C38 C38A -52.6(4) . . . . ?
C31 C36 C38 C38A 127.1(3) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30660860
