#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:47:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179263 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/83/4318378.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_4318378
loop_
_publ_author_name
'Pablo Vitoria'
'Javier I. Beitia'
'Juan Manuel Gutiérrez-Zorrilla'
'Emilio R. Sáiz'
'Antonio Luque'
'Maite Insausti'
'José J. Blanco'
_publ_contact_author
;
  'Juan Manuel Gutierrez-Zorrilla.
  Departamento de Quimica Inorganica. Facultad de Ciencias
  Universidad del Pais Vasco,  Apdo. 644, E-48080 Bilbao, Spain
;
_publ_contact_author_email       qipguloj@lg.ehu.es
_publ_contact_author_fax         '+34-944 648 500'
_publ_contact_author_phone       '+34-946 015 522'
_publ_section_title
;
 Tetracyanometalates of Ni, Pd, and Pt with Cyclic Diquaternary Cations of
 2,2'-Bipyridine and 1,10-Phenanthroline. A Vibrational, Crystallographic,
 and Theoretical Study of Intermolecular Weak Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4396
_journal_page_last               4404
_journal_paper_doi               10.1021/ic0200287
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        'aqueous synthesis'
_chemical_formula_moiety         'C12 H12 N2, C4 N4 Pt, 2(H2 O)'
_chemical_formula_sum            'C16 H16 N6 O2 Pt'
_chemical_formula_weight         519.43
_chemical_name_systematic
;
  6,7-dihydrodipyrido(1,2-a:2',1'-c)pyrazinium tetracyanoplatinate(ii) dihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.04(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1470(10)
_cell_length_b                   15.847(6)
_cell_length_c                   12.511(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12.2
_cell_measurement_theta_min      9.0
_cell_volume                     1759.3(8)
_computing_data_reduction        'XRAY-76 (Stewart, 1976)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'XRAY-76 (Stewart, 1976)'
_computing_structure_solution    'DIRDIF-92 (Beurskens, 1992)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Enraf Nonius CAD4 diffractometer'
_diffrn_measurement_method       'ω/2θ mode'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5092
_diffrn_reflns_reduction_process
;
  ?
;
_diffrn_reflns_theta_max         29.95
_diffrn_reflns_theta_min         1.28
_diffrn_standards_decay_%        25
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    7.998
_exptl_absorpt_correction_T_max  1.027
_exptl_absorpt_correction_T_min  0.962
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.961
_exptl_crystal_density_meas      1.97(1)
_exptl_crystal_density_meas_temp 295
_exptl_crystal_density_method    flotation
_exptl_crystal_description       plate
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.2
_refine_ls_abs_structure_details none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.543
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2069
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.058
_refine_ls_shift/su_max          0.170
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      ?
_refine_ls_wR_factor_gt          0.062
_refine_ls_wR_factor_ref         0.101
_reflns_number_gt                2069
_reflns_number_total             5092
_reflns_threshold_expression     'I> 3 σ(I)'
_cod_data_source_file            ic0200287_2.cif
_cod_data_source_block           comp3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4318378
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
N11 N Uani 0.510(2) 0.0818(9) 0.2083(13) 1.000 0.035(4)
N21 N Uani 0.2966(17) 0.0972(10) 0.3356(13) 1.000 0.036(5)
C5 C Uani 0.404(2) 0.0112(11) 0.221(2) 1.000 0.045(6)
C6 C Uani 0.369(2) 0.0149(11) 0.3285(19) 1.000 0.044(6)
C12 C Uani 0.626(3) 0.0688(15) 0.165(2) 1.000 0.054(8)
C13 C Uani 0.717(3) 0.1344(18) 0.151(2) 1.000 0.062(9)
C14 C Uani 0.694(3) 0.2140(16) 0.186(3) 1.000 0.073(12)
C15 C Uani 0.578(3) 0.2262(12) 0.2378(19) 1.000 0.050(7)
C16 C Uani 0.480(2) 0.1582(10) 0.2454(16) 1.000 0.031(5)
C22 C Uani 0.181(3) 0.1022(16) 0.385(2) 1.000 0.053(8)
C23 C Uani 0.123(3) 0.1771(17) 0.402(3) 1.000 0.061(9)
C24 C Uani 0.178(2) 0.2490(17) 0.3629(17) 1.000 0.050(6)
C25 C Uani 0.290(2) 0.2456(14) 0.3088(17) 1.000 0.047(5)
C26 C Uani 0.354(2) 0.1678(10) 0.2994(16) 1.000 0.030(5)
Pt1 Pt Uani 0.17320(7) 0.24410(4) 0.02252(5) 1.000 0.0282(2)
N1 N Uani 0.048(3) 0.0766(13) 0.096(2) 1.000 0.067(9)
N2 N Uani -0.064(2) 0.3481(10) 0.111(2) 1.000 0.054(7)
N3 N Uani 0.297(3) 0.4161(11) -0.041(2) 1.000 0.065(9)
N4 N Uani 0.397(2) 0.1358(12) -0.074(2) 1.000 0.057(7)
C1 C Uani 0.091(2) 0.1370(13) 0.066(2) 1.000 0.046(7)
C2 C Uani 0.025(3) 0.3093(13) 0.079(2) 1.000 0.050(7)
C3 C Uani 0.255(3) 0.3519(12) -0.0155(18) 1.000 0.041(6)
C4 C Uani 0.318(3) 0.1754(12) -0.038(2) 1.000 0.044(7)
O1 O Uani 0.448(2) 0.4235(10) 0.2720(18) 1.000 0.062(7)
O2 O Uani 0.184(3) 0.0616(11) 0.664(2) 1.000 0.072(8)
H12 H Uiso 0.64920 0.01130 0.14100 1.000 0.0500
H13 H Uiso 0.80290 0.12430 0.11570 1.000 0.0500
H14 H Uiso 0.76080 0.26200 0.17670 1.000 0.0500
H15 H Uiso 0.56090 0.28270 0.26850 1.000 0.0500
H22 H Uiso 0.13840 0.04960 0.40920 1.000 0.0500
H23 H Uiso 0.04060 0.18160 0.44010 1.000 0.0500
H24 H Uiso 0.13450 0.30480 0.37490 1.000 0.0500
H25 H Uiso 0.32500 0.29750 0.27720 1.000 0.0500
H51 H Uiso 0.44490 -0.04520 0.20780 1.000 0.0500
H52 H Uiso 0.31010 0.01210 0.15990 1.000 0.0500
H61 H Uiso 0.30450 -0.03380 0.34030 1.000 0.0500
H62 H Uiso 0.45910 0.00540 0.39000 1.000 0.0500
H111 H Uiso 0.45938 0.46661 0.31994 1.000 0.0500
H112 H Uiso 0.51679 0.43200 0.23083 1.000 0.0500
H211 H Uiso 0.18000 0.02020 0.62336 1.000 0.0500
H212 H Uiso 0.25500 0.09500 0.64408 1.000 0.0500
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-3 6 1
-3 4 1
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Pt1 C4 93.2(10) . . . yes
C1 Pt1 C4 88.2(9) . . . yes
C1 Pt1 C2 90.6(9) . . . yes
C1 Pt1 C3 178.0(9) . . . yes
C2 Pt1 C3 88.1(10) . . . yes
C2 Pt1 C4 178.0(10) . . . yes
H111 O1 H112 106.25 . . . no
H211 O2 H212 102.69 . . . no
C5 N11 C16 116.0(16) . . . yes
C5 N11 C12 121.8(16) . . . yes
C12 N11 C16 122.2(18) . . . yes
C6 N21 C22 119.5(17) . . . yes
C22 N21 C26 120.9(18) . . . yes
C6 N21 C26 119.5(16) . . . yes
N11 C5 C6 110.9(16) . . . yes
N21 C6 C5 107.1(16) . . . yes
N11 C12 C13 121(2) . . . yes
C12 C13 C14 121(3) . . . no
C13 C14 C15 118(2) . . . no
C14 C15 C16 119.6(19) . . . no
N11 C16 C26 119.7(16) . . . yes
C15 C16 C26 121.8(16) . . . no
N11 C16 C15 118.3(18) . . . yes
N21 C22 C23 121(2) . . . yes
C22 C23 C24 119(3) . . . no
C23 C24 C25 122(2) . . . no
C24 C25 C26 118(2) . . . no
C16 C26 C25 121.6(16) . . . no
N21 C26 C25 120.0(17) . . . yes
N21 C26 C16 118.3(15) . . . yes
C6 C5 H51 111.34 . . . no
N11 C5 H52 111.21 . . . no
C6 C5 H52 111.35 . . . no
H51 C5 H52 99.96 . . . no
N11 C5 H51 111.66 . . . no
H61 C6 H62 100.16 . . . no
C5 C6 H61 111.92 . . . no
C5 C6 H62 112.47 . . . no
N21 C6 H62 112.81 . . . no
N21 C6 H61 112.48 . . . no
N11 C12 H12 121.12 . . . no
C13 C12 H12 118.32 . . . no
C12 C13 H13 120.03 . . . no
C14 C13 H13 119.06 . . . no
C15 C14 H14 120.50 . . . no
C13 C14 H14 121.22 . . . no
C14 C15 H15 120.87 . . . no
C16 C15 H15 119.54 . . . no
N21 C22 H22 119.78 . . . no
C23 C22 H22 119.59 . . . no
C22 C23 H23 121.29 . . . no
C24 C23 H23 119.83 . . . no
C23 C24 H24 119.05 . . . no
C25 C24 H24 119.16 . . . no
C26 C25 H25 121.20 . . . no
C24 C25 H25 121.16 . . . no
Pt1 C1 N1 177(2) . . . yes
Pt1 C2 N2 179(2) . . . yes
Pt1 C3 N3 177(2) . . . yes
Pt1 C4 N4 178(2) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C4 2.00(3) . . yes
Pt1 C3 1.97(2) . . yes
Pt1 C1 1.99(2) . . yes
Pt1 C2 1.97(3) . . yes
O1 H111 0.8983 . . no
O1 H112 0.9147 . . no
O2 H212 0.9179 . . no
O2 H211 0.8254 . . no
N11 C5 1.51(2) . . yes
N11 C12 1.32(3) . . yes
N11 C16 1.35(2) . . yes
N21 C22 1.35(3) . . yes
N21 C6 1.48(2) . . yes
N21 C26 1.36(2) . . yes
N1 C1 1.13(3) . . yes
N2 C2 1.17(3) . . yes
N3 C3 1.16(3) . . yes
N4 C4 1.13(3) . . yes
C5 C6 1.46(3) . . no
C12 C13 1.37(4) . . no
C13 C14 1.37(4) . . no
C14 C15 1.38(4) . . no
C15 C16 1.42(3) . . no
C16 C26 1.48(3) . . no
C22 C23 1.34(4) . . no
C23 C24 1.38(4) . . no
C24 C25 1.36(3) . . no
C25 C26 1.38(3) . . no
C5 H52 1.0018 . . no
C5 H51 0.9980 . . no
C6 H61 1.0039 . . no
C6 H62 0.9931 . . no
C12 H12 0.9982 . . no
C13 H13 1.0032 . . no
C14 H14 1.0000 . . no
C15 H15 1.0014 . . no
C22 H22 0.9978 . . no
C23 H23 0.9873 . . no
C24 H24 0.9959 . . no
C25 H25 0.9983 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Pt1 C15 3.49(2) . 4_454 no
Pt1 C16 3.817(19) . 4_454 no
Pt1 C25 3.86(2) . 4_454 no
Pt1 C26 3.783(19) . 4_454 no
Pt1 C16 3.702(19) . . no
Pt1 C25 3.48(2) . . no
Pt1 C26 3.663(19) . . no
Pt1 C15 4.03(3) . . no
Pt1 H15 3.1227 . 4_454 no
Pt1 H25 3.2634 . . no
O1 C15 3.41(3) . . no
O1 C25 3.25(3) . . no
O1 O2 2.82(3) . 4_554 no
O1 N1 2.93(3) . 2_555 no
O1 C6 3.21(3) . 2_555 no
O2 N3 2.80(3) . 2_545 no
O2 O1 2.82(3) . 4_455 no
O2 C12 3.17(3) . 3_656 no
O2 N2 2.92(3) . 4_555 no
O1 H61 2.4883 . 2_555 no
O1 H25 2.3005 . . no
O1 H15 2.4635 . . no
O2 H12 2.7943 . 3_656 no
O2 H112 1.9155 . 4_455 no
O2 H14 2.8773 . 4_455 no
N1 C13 3.39(4) . 1_455 no
N1 C5 3.41(3) . . no
N1 O1 2.93(3) . 2_545 no
N2 C5 3.43(3) . 2_555 no
N2 C23 3.40(4) . 4_454 no
N2 O2 2.92(3) . 4_454 no
N2 C14 3.36(3) . 1_455 no
N2 C22 3.29(3) . 4_454 no
N2 C6 3.18(3) . 2_555 no
N3 O2 2.80(3) . 2_555 no
N4 C24 3.40(3) . 4_554 no
N4 C12 3.43(3) . 3_655 no
N4 C12 3.38(3) . . no
N11 N21 2.81(2) . . no
N21 N11 2.81(2) . . no
N1 H13 2.4344 . 1_455 no
N1 H52 2.5498 . . no
N1 H111 2.0453 . 2_545 no
N2 H51 2.8261 . 2_555 no
N2 H14 2.3968 . 1_455 no
N2 H212 2.0144 . 4_454 no
N2 H62 2.6721 . 2_555 no
N3 H22 2.6592 . 2_555 no
N3 H23 2.7701 . 4_554 no
N3 H211 1.9831 . 2_555 no
N4 H51 2.8512 . 3_655 no
N4 H12 2.4786 . 3_655 no
N4 H24 2.5861 . 4_554 no
C1 C26 3.34(3) . . no
C1 C25 3.58(3) . . no
C2 C25 3.43(3) . . no
C2 C26 3.49(3) . 4_454 no
C2 C6 3.51(3) . 2_555 no
C3 C16 3.41(3) . 4_454 no
C3 C15 3.35(3) . 4_454 no
C4 C15 3.48(3) . 4_454 no
C4 C16 3.51(3) . . no
C5 N1 3.41(3) . . no
C5 N2 3.43(3) . 2_545 no
C6 N2 3.18(3) . 2_545 no
C6 C2 3.51(3) . 2_545 no
C6 O1 3.21(3) . 2_545 no
C12 N4 3.38(3) . . no
C12 N4 3.43(3) . 3_655 no
C12 O2 3.17(3) . 3_656 no
C13 N1 3.39(4) . 1_655 no
C14 N2 3.36(3) . 1_655 no
C15 C3 3.35(3) . 4_555 no
C15 O1 3.41(3) . . no
C15 Pt1 3.49(2) . 4_555 no
C15 C4 3.48(3) . 4_555 no
C15 Pt1 4.03(3) . . no
C16 Pt1 3.817(19) . 4_555 no
C16 C3 3.41(3) . 4_555 no
C16 C4 3.51(3) . . no
C16 Pt1 3.702(19) . . no
C22 N2 3.29(3) . 4_555 no
C23 N2 3.40(4) . 4_555 no
C24 N4 3.40(3) . 4_455 no
C25 C2 3.43(3) . . no
C25 C1 3.58(3) . . no
C25 O1 3.25(3) . . no
C25 Pt1 3.86(2) . 4_555 no
C25 Pt1 3.48(2) . . no
C26 C1 3.34(3) . . no
C26 Pt1 3.783(19) . 4_555 no
C26 C2 3.49(3) . 4_555 no
C26 Pt1 3.663(19) . . no
C1 H13 2.8577 . 1_455 no
C1 H52 2.8586 . . no
C2 H61 2.9782 . 2_555 no
C2 H14 3.0544 . 1_455 no
C3 H23 2.8494 . 4_554 no
C3 H61 2.9934 . 2_555 no
C4 H15 3.0116 . 4_454 no
C15 H25 2.7255 . . no
C16 H62 3.0562 . . no
C25 H15 2.7104 . . no
C26 H52 2.9925 . . no
H12 N4 2.4786 . 3_655 no
H12 H51 2.3979 . . no
H12 O2 2.7943 . 3_656 no
H13 N1 2.4344 . 1_655 no
H13 C1 2.8577 . 1_655 no
H14 O2 2.8773 . 4_554 no
H14 H212 2.3009 . 4_554 no
H14 C2 3.0544 . 1_655 no
H14 N2 2.3968 . 1_655 no
H15 Pt1 3.1227 . 4_555 no
H15 C4 3.0116 . 4_555 no
H15 O1 2.4635 . . no
H15 C25 2.7104 . . no
H15 H25 2.1993 . . no
H15 H112 2.4270 . . no
H22 H61 2.3310 . . no
H22 N3 2.6592 . 2_545 no
H23 C3 2.8494 . 4_455 no
H23 N3 2.7701 . 4_455 no
H24 N4 2.5861 . 4_455 no
H25 H15 2.1993 . . no
H25 O1 2.3005 . . no
H25 C15 2.7255 . . no
H25 Pt1 3.2634 . . no
H51 H12 2.3979 . . no
H51 N2 2.8261 . 2_545 no
H51 N4 2.8512 . 3_655 no
H52 C26 2.9925 . . no
H52 N1 2.5498 . . no
H52 C1 2.8586 . . no
H61 C2 2.9782 . 2_545 no
H61 O1 2.4883 . 2_545 no
H61 C3 2.9934 . 2_545 no
H61 H22 2.3310 . . no
H62 N2 2.6721 . 2_545 no
H62 C16 3.0562 . . no
H111 N1 2.0453 . 2_555 no
H112 H15 2.4270 . . no
H112 O2 1.9155 . 4_554 no
H112 H211 2.3631 . 4_554 no
H211 N3 1.9831 . 2_545 no
H211 H112 2.3631 . 4_455 no
H212 N2 2.0144 . 4_555 no
H212 H14 2.3009 . 4_455 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1 H111 N1 0.8983 2.0453 2.93(3) 168.09 2_555 yes
O1 H112 O2 0.9147 1.9155 2.82(3) 170.00 4_554 yes
O2 H211 N3 0.8254 1.9831 2.80(3) 170.71 2_545 yes
O2 H212 N2 0.9179 2.0144 2.92(3) 169.99 4_555 yes
C12 H12 N4 0.9982 2.4786 3.43(3) 158.28 3_655 yes
C13 H13 N1 1.0032 2.4344 3.39(4) 158.91 1_655 yes
C14 H14 N2 1.0000 2.3968 3.36(3) 162.02 1_655 yes
C15 H15 O1 1.0014 2.4635 3.41(3) 157.19 . yes
C24 H24 N4 0.9959 2.5861 3.40(3) 138.66 4_455 yes
C25 H25 O1 0.9983 2.3005 3.25(3) 158.79 . yes
C5 H52 N1 1.0018 2.5498 3.41(3) 144.27 . yes
C6 H61 O1 1.0039 2.4883 3.21(3) 128.62 2_545 yes
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
C12 N11 C5 C6 136(2) . . . . no
C16 N11 C5 C6 -43(2) . . . . no
C5 N11 C12 C13 178(2) . . . . no
C16 N11 C12 C13 -3(3) . . . . no
C5 N11 C16 C26 3(3) . . . . no
C12 N11 C16 C26 -176.2(19) . . . . no
C5 N11 C16 C15 178.6(18) . . . . no
C12 N11 C16 C15 0(3) . . . . no
C22 N21 C26 C25 -3(3) . . . . no
C22 N21 C6 C5 141.6(19) . . . . no
C26 N21 C6 C5 -43(2) . . . . no
C26 N21 C22 C23 -2(4) . . . . no
C6 N21 C26 C25 -178.0(18) . . . . no
C6 N21 C22 C23 174(2) . . . . no
C22 N21 C26 C16 -179.7(19) . . . . no
C6 N21 C26 C16 5(3) . . . . no
N11 C5 C6 N21 60(2) . . . . no
N11 C12 C13 C14 3(4) . . . . no
C12 C13 C14 C15 1(4) . . . . no
C13 C14 C15 C16 -5(4) . . . . no
C14 C15 C16 N11 5(3) . . . . no
C14 C15 C16 C26 -180(2) . . . . no
C15 C16 C26 C25 24(3) . . . . no
N11 C16 C26 C25 -160.3(19) . . . . no
C15 C16 C26 N21 -159.0(19) . . . . no
N11 C16 C26 N21 17(3) . . . . no
N21 C22 C23 C24 3(4) . . . . no
C22 C23 C24 C25 -1(4) . . . . no
C23 C24 C25 C26 -4(3) . . . . no
C24 C25 C26 C16 -177.9(18) . . . . no
C24 C25 C26 N21 5(3) . . . . no
