#------------------------------------------------------------------------------
#$Date: 2020-07-06 05:06:13 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253827 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126512.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_7126512
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 N2 P'
_chemical_formula_sum            'C16 H11 N2 P'
_chemical_formula_weight         262.25
_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                 103.655(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.597(4)
_cell_length_b                   11.204(3)
_cell_length_c                   8.645(2)
_cell_measurement_reflns_used    1844
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.03
_cell_volume                     1279.8(6)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0642
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_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            13536
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.676
_diffrn_reflns_theta_min         3.031
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.200
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             544.00
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2995
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1272
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0799P)²+0.5683P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.1913
_reflns_number_gt                1660
_reflns_number_total             2995
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0cc02389b2.cif
_cod_data_source_block           DPP_5
_cod_depositor_comments
'Adding full bibliography for 7126511--7126515.cif.'
_cod_database_code               7126512
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
P1 P 0.67783(7) 0.99640(8) 0.49400(10) 0.0546(3) Uani 1 4 d . . .
N1 N 0.5546(2) 0.6871(3) 0.6228(4) 0.0717(9) Uani 1 4 d . . .
N2 N 0.9282(2) 0.9518(3) 0.3118(4) 0.0706(9) Uani 1 4 d . . .
C1 C 0.6502(2) 0.8447(3) 0.5432(4) 0.0495(8) Uani 1 4 d . . .
C2 C 0.7133(2) 0.7620(3) 0.4968(3) 0.0472(7) Uani 1 4 d . . .
C3 C 0.7922(2) 0.8172(3) 0.4321(4) 0.0475(7) Uani 1 4 d . . .
C4 C 0.7859(2) 0.9418(3) 0.4292(4) 0.0515(8) Uani 1 4 d . . .
C5 C 0.7321(2) 1.0630(3) 0.6879(4) 0.0492(7) Uani 1 4 d . . .
C6 C 0.5718(3) 0.8030(4) 0.6063(4) 0.0623(9) Uani 1 4 d . . .
C7 C 0.6158(3) 0.6110(4) 0.5748(5) 0.0681(10) Uani 1 4 d . . .
C8 C 0.6954(3) 0.6423(3) 0.5126(4) 0.0573(9) Uani 1 4 d . . .
C9 C 0.8563(3) 1.0027(4) 0.3673(4) 0.0630(9) Uani 1 4 d . . .
C10 C 0.9324(3) 0.8335(4) 0.3175(5) 0.0694(10) Uani 1 4 d . . .
C11 C 0.8674(3) 0.7629(3) 0.3760(4) 0.0586(9) Uani 1 4 d . . .
C12 C 0.6663(3) 1.1219(3) 0.7613(4) 0.0563(9) Uani 1 4 d . . .
C13 C 0.7007(3) 1.1735(3) 0.9091(5) 0.0640(10) Uani 1 4 d . . .
C14 C 0.8020(3) 1.1680(3) 0.9821(5) 0.0660(10) Uani 1 4 d . . .
C15 C 0.8677(3) 1.1119(3) 0.9096(4) 0.0601(9) Uani 1 4 d . . .
C16 C 0.8341(3) 1.0589(3) 0.7635(4) 0.0542(8) Uani 1 4 d . . .
H6 H 0.52958 0.85816 0.63849 0.0748 Uiso 1 4 calc R . .
H7 H 0.60355 0.53 0.58428 0.0817 Uiso 1 4 calc R . .
H8 H 0.73621 0.58471 0.48186 0.0687 Uiso 1 4 calc R . .
H9 H 0.85265 1.08562 0.36463 0.0756 Uiso 1 4 calc R . .
H10 H 0.98286 0.79602 0.27909 0.0833 Uiso 1 4 calc R . .
H11 H 0.87408 0.68022 0.37768 0.0703 Uiso 1 4 calc R . .
H12 H 0.59798 1.12682 0.71063 0.0675 Uiso 1 4 calc R . .
H13 H 0.65578 1.21156 0.95892 0.0768 Uiso 1 4 calc R . .
H14 H 0.8258 1.20288 1.08153 0.0792 Uiso 1 4 calc R . .
H15 H 0.93619 1.10947 0.95957 0.0722 Uiso 1 4 calc R . .
H16 H 0.8796 1.0204 0.71524 0.0650 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)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
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 P1 C4 89.10(16) yes . . .
C1 P1 C5 103.23(14) yes . . .
C4 P1 C5 104.03(15) yes . . .
C6 N1 C7 117.0(4) yes . . .
C9 N2 C10 116.7(4) yes . . .
P1 C1 C2 112.5(3) yes . . .
P1 C1 C6 129.0(3) yes . . .
C2 C1 C6 118.3(3) yes . . .
C1 C2 C3 112.9(3) yes . . .
C1 C2 C8 119.2(3) yes . . .
C3 C2 C8 127.9(3) yes . . .
C2 C3 C4 112.5(3) yes . . .
C2 C3 C11 128.6(3) yes . . .
C4 C3 C11 118.9(3) yes . . .
P1 C4 C3 112.6(3) yes . . .
P1 C4 C9 130.1(3) yes . . .
C3 C4 C9 117.1(3) yes . . .
P1 C5 C12 116.9(2) yes . . .
P1 C5 C16 124.2(3) yes . . .
C12 C5 C16 118.9(3) yes . . .
N1 C6 C1 122.7(4) yes . . .
N1 C7 C8 125.0(4) yes . . .
C2 C8 C7 117.7(3) yes . . .
N2 C9 C4 124.6(4) yes . . .
N2 C10 C11 124.4(4) yes . . .
C3 C11 C10 118.3(4) yes . . .
C5 C12 C13 120.7(3) yes . . .
C12 C13 C14 119.4(4) yes . . .
C13 C14 C15 120.3(3) yes . . .
C14 C15 C16 120.8(3) yes . . .
C5 C16 C15 119.9(3) yes . . .
N1 C6 H6 118.629 no . . .
C1 C6 H6 118.629 no . . .
N1 C7 H7 117.487 no . . .
C8 C7 H7 117.483 no . . .
C2 C8 H8 121.132 no . . .
C7 C8 H8 121.130 no . . .
N2 C9 H9 117.695 no . . .
C4 C9 H9 117.691 no . . .
N2 C10 H10 117.795 no . . .
C11 C10 H10 117.793 no . . .
C3 C11 H11 120.869 no . . .
C10 C11 H11 120.853 no . . .
C5 C12 H12 119.643 no . . .
C13 C12 H12 119.641 no . . .
C12 C13 H13 120.300 no . . .
C14 C13 H13 120.309 no . . .
C13 C14 H14 119.822 no . . .
C15 C14 H14 119.840 no . . .
C14 C15 H15 119.602 no . . .
C16 C15 H15 119.611 no . . .
C5 C16 H16 120.065 no . . .
C15 C16 H16 120.070 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
P1 C1 1.813(4) yes . .
P1 C4 1.800(4) yes . .
P1 C5 1.823(3) yes . .
N1 C6 1.333(5) yes . .
N1 C7 1.325(6) yes . .
N2 C9 1.316(5) yes . .
N2 C10 1.327(6) yes . .
C1 C2 1.385(5) yes . .
C1 C6 1.388(5) yes . .
C2 C3 1.459(5) yes . .
C2 C8 1.376(5) yes . .
C3 C4 1.398(5) yes . .
C3 C11 1.375(5) yes . .
C4 C9 1.382(5) yes . .
C5 C12 1.382(5) yes . .
C5 C16 1.388(4) yes . .
C7 C8 1.363(6) yes . .
C10 C11 1.368(6) yes . .
C12 C13 1.379(5) yes . .
C13 C14 1.375(6) yes . .
C14 C15 1.360(6) yes . .
C15 C16 1.373(5) 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 2.767(5) no . .
N2 C3 2.772(5) no . .
C1 C7 2.685(5) no . .
C4 C10 2.698(6) no . .
C4 C16 3.100(5) no . .
C5 C14 2.760(5) no . .
C6 C8 2.713(5) no . .
C8 C11 3.162(6) no . .
C9 C11 2.692(5) no . .
C9 C16 3.565(5) no . .
C12 C15 2.739(5) no . .
C13 C16 2.757(6) no . .
N1 C1 3.577(5) no . 4_565
N1 C2 3.484(4) no . 4_565
N1 C12 3.460(5) no . 2_646
N1 C13 3.420(5) no . 2_646
N2 N2 3.545(4) no . 3_776
N2 C9 3.564(4) no . 3_776
N2 C16 3.447(5) no . 3_776
C1 N1 3.577(5) no . 4_564
C2 N1 3.484(4) no . 4_564
C2 C6 3.544(4) no . 4_564
C2 C11 3.460(4) no . 4_565
C3 C7 3.527(5) no . 4_564
C3 C8 3.583(5) no . 4_564
C4 C7 3.426(5) no . 4_564
C6 C2 3.544(4) no . 4_565
C6 C8 3.570(5) no . 4_565
C7 C3 3.527(5) no . 4_565
C7 C4 3.426(5) no . 4_565
C8 C3 3.583(5) no . 4_565
C8 C6 3.570(5) no . 4_564
C9 N2 3.564(4) no . 3_776
C11 C2 3.460(4) no . 4_564
C12 N1 3.460(5) no . 2_656
C13 N1 3.420(5) no . 2_656
C16 N2 3.447(5) no . 3_776
P1 H6 3.0351 no . .
P1 H9 3.0259 no . .
P1 H12 2.7895 no . .
P1 H16 2.9631 no . .
N1 H8 3.2123 no . .
N2 H11 3.2126 no . .
C1 H8 3.2296 no . .
C2 H6 3.2161 no . .
C2 H7 3.1764 no . .
C2 H11 2.7830 no . .
C3 H8 2.7757 no . .
C3 H9 3.2075 no . .
C3 H10 3.1860 no . .
C3 H16 3.3487 no . .
C4 H11 3.2365 no . .
C4 H16 2.6508 no . .
C5 H6 3.5317 no . .
C5 H9 3.5670 no . .
C5 H13 3.2384 no . .
C5 H15 3.2271 no . .
C6 H7 3.1010 no . .
C7 H6 3.1066 no . .
C8 H11 2.9634 no . .
C9 H10 3.0862 no . .
C9 H16 2.9562 no . .
C10 H9 3.0876 no . .
C11 H8 2.9627 no . .
C12 H6 3.5186 no . .
C12 H14 3.2182 no . .
C12 H16 3.2270 no . .
C13 H15 3.2090 no . .
C14 H12 3.2162 no . .
C14 H16 3.2120 no . .
C15 H13 3.2112 no . .
C16 H9 3.5286 no . .
C16 H12 3.2252 no . .
C16 H14 3.2126 no . .
H6 H12 3.1688 no . .
H7 H8 2.2732 no . .
H8 H11 2.5036 no . .
H9 H16 3.0546 no . .
H10 H11 2.2788 no . .
H12 H13 2.3086 no . .
H13 H14 2.3066 no . .
H14 H15 2.2819 no . .
H15 H16 2.2982 no . .
P1 H6 3.2243 no . 3_676
P1 H7 3.4589 no . 4_564
P1 H13 3.2933 no . 4_574
N1 H7 3.4537 no . 3_666
N1 H12 2.8713 no . 2_646
N1 H13 2.7934 no . 2_646
N2 H8 3.4059 no . 4_564
N2 H9 3.5981 no . 3_776
N2 H14 3.5366 no . 1_554
N2 H15 3.5444 no . 1_554
N2 H15 3.3793 no . 3_776
N2 H16 2.6969 no . 3_776
C1 H12 3.5786 no . 3_676
C2 H11 3.5555 no . 4_565
C4 H7 3.4129 no . 4_564
C5 H8 3.0220 no . 4_565
C5 H11 3.5141 no . 4_565
C5 H13 3.2260 no . 4_574
C5 H14 3.1475 no . 4_574
C6 H12 3.2359 no . 3_676
C6 H13 3.1814 no . 2_646
C7 H7 3.3686 no . 3_666
C8 H6 3.4784 no . 4_564
C9 H8 3.4869 no . 4_564
C9 H14 3.2891 no . 1_554
C10 H8 3.5663 no . 4_564
C10 H14 3.5156 no . 2_746
C10 H15 3.4031 no . 2_746
C10 H15 3.3704 no . 3_776
C10 H16 3.1048 no . 3_776
C11 H10 3.5300 no . 4_565
C11 H15 3.2112 no . 2_746
C11 H16 3.4840 no . 4_564
C12 H7 3.5412 no . 4_565
C12 H8 3.0068 no . 4_565
C12 H13 3.1878 no . 4_574
C12 H14 3.5454 no . 4_574
C13 H7 3.1905 no . 4_565
C13 H8 2.9754 no . 4_565
C13 H9 3.4754 no . 4_575
C14 H8 2.9697 no . 4_565
C14 H9 3.3449 no . 1_556
C14 H9 3.0747 no . 4_575
C14 H10 3.4674 no . 2_756
C15 H8 2.9949 no . 4_565
C15 H9 3.4115 no . 4_575
C15 H10 3.0687 no . 3_776
C15 H11 3.2880 no . 4_565
C15 H14 3.4509 no . 4_574
C16 H8 3.0187 no . 4_565
C16 H10 3.0666 no . 3_776
C16 H11 2.8631 no . 4_565
C16 H14 3.0863 no . 4_574
H6 P1 3.2243 no . 3_676
H6 C8 3.4784 no . 4_565
H6 H12 3.5350 no . 2_646
H6 H12 3.1103 no . 3_676
H6 H13 2.9593 no . 2_646
H7 P1 3.4589 no . 4_565
H7 N1 3.4537 no . 3_666
H7 C4 3.4129 no . 4_565
H7 C7 3.3686 no . 3_666
H7 C12 3.5412 no . 4_564
H7 C13 3.1905 no . 4_564
H7 H7 2.9271 no . 3_666
H7 H13 3.0607 no . 4_564
H8 N2 3.4059 no . 4_565
H8 C5 3.0220 no . 4_564
H8 C9 3.4869 no . 4_565
H8 C10 3.5663 no . 4_565
H8 C12 3.0068 no . 4_564
H8 C13 2.9754 no . 4_564
H8 C14 2.9697 no . 4_564
H8 C15 2.9949 no . 4_564
H8 C16 3.0187 no . 4_564
H8 H12 3.5450 no . 4_564
H8 H13 3.4860 no . 4_564
H8 H14 3.4805 no . 4_564
H8 H15 3.5231 no . 4_564
H8 H16 3.5528 no . 4_564
H9 N2 3.5981 no . 3_776
H9 C13 3.4754 no . 4_574
H9 C14 3.3449 no . 1_554
H9 C14 3.0747 no . 4_574
H9 C15 3.4115 no . 4_574
H9 H14 2.7252 no . 1_554
H9 H14 3.0964 no . 4_574
H10 C11 3.5300 no . 4_564
H10 C14 3.4674 no . 2_746
H10 C15 3.0687 no . 3_776
H10 C16 3.0666 no . 3_776
H10 H11 3.4463 no . 4_564
H10 H14 2.7982 no . 2_746
H10 H15 3.0839 no . 2_746
H10 H15 2.7680 no . 3_776
H10 H16 2.7727 no . 3_776
H11 C2 3.5555 no . 4_564
H11 C5 3.5141 no . 4_564
H11 C15 3.2880 no . 4_564
H11 C16 2.8631 no . 4_564
H11 H10 3.4463 no . 4_565
H11 H15 2.7477 no . 2_746
H11 H15 3.3864 no . 4_564
H11 H16 2.6608 no . 4_564
H12 N1 2.8713 no . 2_656
H12 C1 3.5786 no . 3_676
H12 C6 3.2359 no . 3_676
H12 H6 3.5350 no . 2_656
H12 H6 3.1103 no . 3_676
H12 H8 3.5450 no . 4_565
H12 H13 3.0723 no . 4_574
H13 P1 3.2933 no . 4_575
H13 N1 2.7934 no . 2_656
H13 C5 3.2260 no . 4_575
H13 C6 3.1814 no . 2_656
H13 C12 3.1878 no . 4_575
H13 H6 2.9593 no . 2_656
H13 H7 3.0607 no . 4_565
H13 H8 3.4860 no . 4_565
H13 H12 3.0723 no . 4_575
H14 N2 3.5366 no . 1_556
H14 C5 3.1475 no . 4_575
H14 C9 3.2891 no . 1_556
H14 C10 3.5156 no . 2_756
H14 C12 3.5454 no . 4_575
H14 C15 3.4509 no . 4_575
H14 C16 3.0863 no . 4_575
H14 H8 3.4805 no . 4_565
H14 H9 2.7252 no . 1_556
H14 H9 3.0964 no . 4_575
H14 H10 2.7982 no . 2_756
H14 H16 3.3294 no . 4_575
H15 N2 3.5444 no . 1_556
H15 N2 3.3793 no . 3_776
H15 C10 3.4031 no . 2_756
H15 C10 3.3704 no . 3_776
H15 C11 3.2112 no . 2_756
H15 H8 3.5231 no . 4_565
H15 H10 3.0839 no . 2_756
H15 H10 2.7680 no . 3_776
H15 H11 2.7477 no . 2_756
H15 H11 3.3864 no . 4_565
H15 H15 2.9908 no . 3_777
H16 N2 2.6969 no . 3_776
H16 C10 3.1048 no . 3_776
H16 C11 3.4840 no . 4_565
H16 H8 3.5528 no . 4_565
H16 H10 2.7727 no . 3_776
H16 H11 2.6608 no . 4_565
H16 H14 3.3294 no . 4_574
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 P1 C4 C3 5.39(19) no . . . .
C1 P1 C4 C9 179.7(2) no . . . .
C4 P1 C1 C2 -5.86(19) no . . . .
C4 P1 C1 C6 180.0(2) no . . . .
C1 P1 C5 C12 -92.9(2) no . . . .
C1 P1 C5 C16 87.9(3) no . . . .
C5 P1 C1 C2 -110.1(2) no . . . .
C5 P1 C1 C6 75.8(3) no . . . .
C4 P1 C5 C12 174.7(2) no . . . .
C4 P1 C5 C16 -4.5(3) no . . . .
C5 P1 C4 C3 108.81(19) no . . . .
C5 P1 C4 C9 -76.8(3) no . . . .
C6 N1 C7 C8 1.1(5) no . . . .
C7 N1 C6 C1 -0.4(5) no . . . .
C9 N2 C10 C11 0.2(5) no . . . .
C10 N2 C9 C4 -0.3(5) no . . . .
P1 C1 C2 C3 4.9(3) no . . . .
P1 C1 C2 C8 -173.95(17) no . . . .
P1 C1 C6 N1 173.4(2) no . . . .
C2 C1 C6 N1 -0.5(4) no . . . .
C6 C1 C2 C3 179.8(2) no . . . .
C6 C1 C2 C8 0.9(4) no . . . .
C1 C2 C3 C4 -0.8(3) no . . . .
C1 C2 C3 C11 179.6(2) no . . . .
C1 C2 C8 C7 -0.4(4) no . . . .
C3 C2 C8 C7 -179.1(2) no . . . .
C8 C2 C3 C4 178.0(3) no . . . .
C8 C2 C3 C11 -1.6(5) no . . . .
C2 C3 C4 P1 -3.7(3) no . . . .
C2 C3 C4 C9 -178.9(2) no . . . .
C2 C3 C11 C10 178.7(2) no . . . .
C4 C3 C11 C10 -0.9(4) no . . . .
C11 C3 C4 P1 175.9(2) no . . . .
C11 C3 C4 C9 0.8(4) no . . . .
P1 C4 C9 N2 -174.3(2) no . . . .
C3 C4 C9 N2 -0.1(4) no . . . .
P1 C5 C12 C13 179.2(2) no . . . .
P1 C5 C16 C15 179.9(2) no . . . .
C12 C5 C16 C15 0.7(5) no . . . .
C16 C5 C12 C13 -1.6(5) no . . . .
N1 C7 C8 C2 -0.6(5) no . . . .
N2 C10 C11 C3 0.4(5) no . . . .
C5 C12 C13 C14 1.3(5) no . . . .
C12 C13 C14 C15 -0.2(5) no . . . .
C13 C14 C15 C16 -0.6(5) no . . . .
C14 C15 C16 C5 0.4(5) no . . . .
