#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:16:52 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186349 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/60/7226085.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_7226085
loop_
_publ_author_name
'Huo, Jian Zhong'
'Su, Xiu Mei'
'Wu, Xiang Xia'
'Liu, Yuan Yuan'
'Ding, Bin'
_publ_section_title
;
 Hydrothermal synthesis and characterization of a series of luminescent
 Ag(i) coordination polymers with two new multidentate
 bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and
 photoluminescent sensing
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6640
_journal_paper_doi               10.1039/C6CE01275B
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C24 H36 Ag2 B2 F8 N18'
_chemical_formula_weight         966.07
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-05-24 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                110.593(4)
_cell_angle_beta                 98.841(4)
_cell_angle_gamma                103.512(4)
_cell_formula_units_Z            1
_cell_length_a                   7.5701(3)
_cell_length_b                   10.9940(5)
_cell_length_c                   12.2207(6)
_cell_measurement_reflns_used    2890
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.1850
_cell_measurement_theta_min      4.0360
_cell_volume                     894.11(8)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0698
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6887
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.43
_exptl_absorpt_coefficient_mu    1.185
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             482
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.627
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         3142
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.602
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0803P)²+2.9509P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.1612
_reflns_number_gt                2587
_reflns_number_total             3142
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce01275b2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7226081--7226085.cif.'
_cod_original_cell_volume        894.10(7)
_cod_database_code               7226085
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.54827(11) 0.37936(9) 0.35035(7) 0.0386(4) Uani 1 1 d . . .
N1 N 0.3554(11) 0.5059(8) 0.3498(7) 0.0295(18) Uani 1 1 d . A .
N2 N 0.2835(13) 0.5572(10) 0.4406(8) 0.040(2) Uani 1 1 d . . .
N8 N 0.8517(13) 0.2904(9) 0.2235(7) 0.035(2) Uani 1 1 d . . .
F3 F -0.0477(11) 0.7672(11) 0.1704(8) 0.082(3) Uani 1 1 d . . .
N9 N 0.9162(11) 0.2710(9) 0.1254(7) 0.0295(19) Uani 1 1 d . . .
N7 N 0.7315(12) 0.3583(9) 0.2178(7) 0.0326(19) Uani 1 1 d . . .
F1 F -0.3191(13) 0.6949(10) 0.2145(8) 0.080(2) Uani 1 1 d U . .
N3 N 0.1741(13) 0.6225(10) 0.4050(8) 0.042(2) Uani 1 1 d DU . .
N4 N -0.3618(13) 0.9091(9) 0.6128(8) 0.043(2) Uani 1 1 d D . .
F2 F -0.2875(15) 0.8366(11) 0.1148(10) 0.096(3) Uani 1 1 d . . .
N5 N -0.3602(15) 1.0357(10) 0.6344(9) 0.047(2) Uani 1 1 d . A .
N6 N -0.4399(14) 0.8545(10) 0.6820(8) 0.041(2) Uani 1 1 d . . .
F4 F -0.2872(16) 0.6234(10) 0.0232(8) 0.088(3) Uani 1 1 d . . .
C2 C 0.2939(14) 0.5415(11) 0.2609(8) 0.031(2) Uani 1 1 d . . .
H2 H 0.3254 0.5181 0.1873 0.037 Uiso 1 1 calc R A .
C11 C 1.0426(15) 0.1878(11) 0.1006(9) 0.037(2) Uani 1 1 d . . .
H11A H 1.1029 0.1848 0.1752 0.044 Uiso 1 1 calc R . .
H11B H 1.1399 0.2295 0.0700 0.044 Uiso 1 1 calc R . .
C1 C 0.1795(15) 0.6163(11) 0.2943(9) 0.034(2) Uani 1 1 d . A .
H1 H 0.1179 0.6551 0.2504 0.040 Uiso 1 1 calc R . .
C12 C 0.9369(15) 0.0443(12) 0.0093(10) 0.039(3) Uani 1 1 d . . .
H12A H 0.8334 0.0051 0.0370 0.047 Uiso 1 1 calc R . .
H12B H 0.8847 0.0468 -0.0673 0.047 Uiso 1 1 calc R . .
C10 C 0.7193(16) 0.3820(12) 0.1160(9) 0.040(3) Uani 1 1 d . . .
H10 H 0.6446 0.4287 0.0915 0.049 Uiso 1 1 calc R . .
C9 C 0.8356(16) 0.3252(13) 0.0563(9) 0.041(3) Uani 1 1 d . . .
H9 H 0.8557 0.3239 -0.0172 0.049 Uiso 1 1 calc R . .
C8 C -0.4429(15) 1.0653(12) 0.7241(11) 0.043(3) Uani 1 1 d . . .
H8 H -0.4644 1.1482 0.7613 0.051 Uiso 1 1 calc R A .
C7 C -0.4916(16) 0.9552(12) 0.7534(10) 0.041(3) Uani 1 1 d . A .
H7 H -0.5514 0.9512 0.8137 0.050 Uiso 1 1 calc R . .
C6 C -0.2553(18) 0.838(2) 0.5308(13) 0.041(4) Uani 0.654(11) 1 d PDU A 1
H6A H -0.3077 0.7401 0.5061 0.049 Uiso 0.654(11) 1 calc PR A 1
H6B H -0.2737 0.8562 0.4585 0.049 Uiso 0.654(11) 1 calc PR A 1
C5 C -0.0516(17) 0.8793(15) 0.5859(12) 0.035(3) Uani 0.654(11) 1 d PDU A 1
H5A H -0.0344 0.8550 0.6549 0.042 Uiso 0.654(11) 1 calc PR A 1
H5B H -0.0024 0.9780 0.6163 0.042 Uiso 0.654(11) 1 calc PR A 1
C3' C 0.172(3) 0.792(2) 0.523(2) 0.042(4) Uani 0.346(11) 1 d PDU A 2
H3'A H 0.1971 0.7991 0.6054 0.051 Uiso 0.346(11) 1 calc PR A 2
H3'B H 0.2472 0.8729 0.5168 0.051 Uiso 0.346(11) 1 calc PR A 2
B1 B -0.236(2) 0.7329(15) 0.1350(13) 0.044(3) Uani 1 1 d . . .
C4 C 0.067(2) 0.8181(13) 0.5042(13) 0.034(3) Uani 0.654(11) 1 d PDU A 1
H4A H 0.0316 0.8255 0.4276 0.040 Uiso 0.654(11) 1 calc PR A 1
H4B H 0.1982 0.8719 0.5416 0.040 Uiso 0.654(11) 1 calc PR A 1
C5' C -0.142(3) 0.802(3) 0.547(2) 0.035(3) Uani 0.346(11) 1 d PDU A 2
H5'A H -0.0565 0.8871 0.6103 0.042 Uiso 0.346(11) 1 calc PR A 2
H5'B H -0.1771 0.7391 0.5848 0.042 Uiso 0.346(11) 1 calc PR A 2
C3 C 0.047(2) 0.6730(14) 0.4800(14) 0.042(4) Uani 0.654(11) 1 d PDU A 1
H3A H -0.0820 0.6175 0.4380 0.051 Uiso 0.654(11) 1 calc PR A 1
H3B H 0.0777 0.6639 0.5562 0.051 Uiso 0.654(11) 1 calc PR A 1
C4' C -0.039(3) 0.745(3) 0.4575(19) 0.034(3) Uani 0.346(11) 1 d PDU A 2
H4'A H -0.0555 0.7772 0.3933 0.040 Uiso 0.346(11) 1 calc PR A 2
H4'B H -0.0876 0.6462 0.4219 0.040 Uiso 0.346(11) 1 calc PR A 2
C6' C -0.316(4) 0.831(4) 0.5001(17) 0.041(4) Uani 0.346(11) 1 d PDU A 2
H6'A H -0.2918 0.8846 0.4528 0.049 Uiso 0.346(11) 1 calc PR A 2
H6'B H -0.4173 0.7466 0.4508 0.049 Uiso 0.346(11) 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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 Ag01 N7 118.5(3) . .
N1 Ag01 N6 122.9(3) . 2_566
N7 Ag01 N6 97.8(3) . 2_566
N1 Ag01 N2 108.7(3) . 2_666
N7 Ag01 N2 114.6(3) . 2_666
N6 Ag01 N2 91.4(3) 2_566 2_666
N2 N1 C2 108.9(8) . .
N2 N1 Ag01 124.0(6) . .
C2 N1 Ag01 127.1(6) . .
N1 N2 N3 106.0(7) . .
N1 N2 Ag01 121.4(6) . 2_666
N3 N2 Ag01 125.1(6) . 2_666
N7 N8 N9 106.8(7) . .
N8 N9 C9 110.5(8) . .
N8 N9 C11 119.8(8) . .
C9 N9 C11 129.3(8) . .
N8 N7 C10 109.6(8) . .
N8 N7 Ag01 118.1(6) . .
C10 N7 Ag01 131.2(7) . .
N2 N3 C1 111.3(8) . .
N2 N3 C3 119.2(9) . .
C1 N3 C3 129.0(10) . .
N2 N3 C3' 117.8(11) . .
C1 N3 C3' 117.4(12) . .
C3 N3 C3' 42.2(9) . .
N5 N4 N6 115.7(8) . .
N5 N4 C6' 118.2(18) . .
N6 N4 C6' 124.8(19) . .
N5 N4 C6 122.7(12) . .
N6 N4 C6 120.8(11) . .
C6' N4 C6 20.0(9) . .
N4 N5 C8 103.1(9) . .
C7 N6 N4 102.7(9) . .
C7 N6 Ag01 126.2(8) . 2_566
N4 N6 Ag01 128.7(6) . 2_566
N1 C2 C1 109.4(8) . .
N1 C2 H2 125.3 . .
C1 C2 H2 125.3 . .
N9 C11 C12 111.2(8) . .
N9 C11 H11A 109.4 . .
C12 C11 H11A 109.4 . .
N9 C11 H11B 109.4 . .
C12 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
N3 C1 C2 104.4(9) . .
N3 C1 H1 127.8 . .
C2 C1 H1 127.8 . .
C12 C12 C11 111.3(11) 2_755 .
C12 C12 H12A 109.4 2_755 .
C11 C12 H12A 109.4 . .
C12 C12 H12B 109.4 2_755 .
C11 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
N7 C10 C9 107.4(10) . .
N7 C10 H10 126.3 . .
C9 C10 H10 126.3 . .
N9 C9 C10 105.7(9) . .
N9 C9 H9 127.2 . .
C10 C9 H9 127.2 . .
N5 C8 C7 109.4(10) . .
N5 C8 H8 125.3 . .
C7 C8 H8 125.3 . .
N6 C7 C8 109.1(10) . .
N6 C7 H7 125.4 . .
C8 C7 H7 125.4 . .
C5 C6 N4 114.2(10) . .
C5 C6 H6A 108.7 . .
N4 C6 H6A 108.7 . .
C5 C6 H6B 108.7 . .
N4 C6 H6B 108.7 . .
H6A C6 H6B 107.6 . .
C6 C5 C4 116.8(10) . .
C6 C5 H5A 108.1 . .
C4 C5 H5A 108.1 . .
C6 C5 H5B 108.1 . .
C4 C5 H5B 108.1 . .
H5A C5 H5B 107.3 . .
C4' C3' N3 85.1(10) . .
C4' C3' H3'A 114.5 . .
N3 C3' H3'A 114.5 . .
C4' C3' H3'B 114.5 . .
N3 C3' H3'B 114.5 . .
H3'A C3' H3'B 111.6 . .
F3 B1 F1 111.7(12) . .
F3 B1 F2 110.3(11) . .
F1 B1 F2 112.8(10) . .
F3 B1 F4 104.8(10) . .
F1 B1 F4 110.2(11) . .
F2 B1 F4 106.5(12) . .
C3 C4 C5 114.3(10) . .
C3 C4 H4A 108.7 . .
C5 C4 H4A 108.7 . .
C3 C4 H4B 108.7 . .
C5 C4 H4B 108.7 . .
H4A C4 H4B 107.6 . .
C4' C5' C6' 116.8(14) . .
C4' C5' H5'A 108.1 . .
C6' C5' H5'A 108.1 . .
C4' C5' H5'B 108.1 . .
C6' C5' H5'B 108.1 . .
H5'A C5' H5'B 107.3 . .
C4 C3 N3 111.3(10) . .
C4 C3 H3A 109.4 . .
N3 C3 H3A 109.4 . .
C4 C3 H3B 109.4 . .
N3 C3 H3B 109.4 . .
H3A C3 H3B 108.0 . .
C5' C4' C3' 108.8(13) . .
C5' C4' H4'A 109.9 . .
C3' C4' H4'A 109.9 . .
C5' C4' H4'B 109.9 . .
C3' C4' H4'B 109.9 . .
H4'A C4' H4'B 108.3 . .
N4 C6' C5' 102.7(12) . .
N4 C6' H6'A 111.2 . .
C5' C6' H6'A 111.2 . .
N4 C6' H6'B 111.2 . .
C5' C6' H6'B 111.2 . .
H6'A C6' H6'B 109.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag01 N1 2.241(8) .
Ag01 N7 2.276(8) .
Ag01 N6 2.375(10) 2_566
Ag01 N2 2.442(8) 2_666
N1 N2 1.316(11) .
N1 C2 1.334(13) .
N2 N3 1.333(11) .
N2 Ag01 2.442(8) 2_666
N8 N7 1.313(12) .
N8 N9 1.329(11) .
F3 B1 1.341(16) .
N9 C9 1.344(13) .
N9 C11 1.465(13) .
N7 C10 1.351(13) .
F1 B1 1.367(15) .
N3 C1 1.338(13) .
N3 C3 1.493(11) .
N3 C3' 1.919(11) .
N4 N5 1.318(13) .
N4 N6 1.331(12) .
N4 C6' 1.485(14) .
N4 C6 1.503(12) .
F2 B1 1.375(16) .
N5 C8 1.325(15) .
N6 C7 1.329(14) .
N6 Ag01 2.375(10) 2_566
F4 B1 1.389(17) .
C2 C1 1.341(14) .
C2 H2 0.9300 .
C11 C12 1.508(15) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C1 H1 0.9300 .
C12 C12 1.50(2) 2_755
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C10 C9 1.353(15) .
C10 H10 0.9300 .
C9 H9 0.9300 .
C8 C7 1.367(17) .
C8 H8 0.9300 .
C7 H7 0.9300 .
C6 C5 1.475(13) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C5 C4 1.530(11) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C3' C4' 1.544(15) .
C3' H3'A 0.9700 .
C3' H3'B 0.9700 .
C4 C3 1.483(13) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5' C4' 1.490(14) .
C5' C6' 1.499(15) .
C5' H5'A 0.9700 .
C5' H5'B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4' H4'A 0.9700 .
C4' H4'B 0.9700 .
C6' H6'A 0.9700 .
C6' H6'B 0.9700 .
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
N7 Ag01 N1 N2 -160.3(8) . .
N6 Ag01 N1 N2 77.4(9) 2_566 .
N2 Ag01 N1 N2 -27.1(10) 2_666 .
N7 Ag01 N1 C2 20.0(10) . .
N6 Ag01 N1 C2 -102.4(9) 2_566 .
N2 Ag01 N1 C2 153.2(8) 2_666 .
C2 N1 N2 N3 1.2(12) . .
Ag01 N1 N2 N3 -178.6(7) . .
C2 N1 N2 Ag01 -149.9(7) . 2_666
Ag01 N1 N2 Ag01 30.3(11) . 2_666
N7 N8 N9 C9 -0.7(12) . .
N7 N8 N9 C11 -175.0(9) . .
N9 N8 N7 C10 0.1(12) . .
N9 N8 N7 Ag01 169.0(6) . .
N1 Ag01 N7 N8 176.2(7) . .
N6 Ag01 N7 N8 -49.5(8) 2_566 .
N2 Ag01 N7 N8 45.6(8) 2_666 .
N1 Ag01 N7 C10 -17.7(11) . .
N6 Ag01 N7 C10 116.6(10) 2_566 .
N2 Ag01 N7 C10 -148.3(9) 2_666 .
N1 N2 N3 C1 -1.6(13) . .
Ag01 N2 N3 C1 148.1(8) 2_666 .
N1 N2 N3 C3 170.2(11) . .
Ag01 N2 N3 C3 -40.1(14) 2_666 .
N1 N2 N3 C3' -141.5(12) . .
Ag01 N2 N3 C3' 8.2(15) 2_666 .
N6 N4 N5 C8 0.1(13) . .
C6' N4 N5 C8 167.4(14) . .
C6 N4 N5 C8 -170.0(10) . .
N5 N4 N6 C7 -0.1(13) . .
C6' N4 N6 C7 -166.4(13) . .
C6 N4 N6 C7 170.2(10) . .
N5 N4 N6 Ag01 162.7(8) . 2_566
C6' N4 N6 Ag01 -3.6(17) . 2_566
C6 N4 N6 Ag01 -27.0(14) . 2_566
N2 N1 C2 C1 -0.4(12) . .
Ag01 N1 C2 C1 179.4(7) . .
N8 N9 C11 C12 98.9(11) . .
C9 N9 C11 C12 -74.2(14) . .
N2 N3 C1 C2 1.4(13) . .
C3 N3 C1 C2 -169.4(12) . .
C3' N3 C1 C2 141.4(10) . .
N1 C2 C1 N3 -0.6(12) . .
N9 C11 C12 C12 -175.6(11) . 2_755
N8 N7 C10 C9 0.5(13) . .
Ag01 N7 C10 C9 -166.5(8) . .
N8 N9 C9 C10 1.0(13) . .
C11 N9 C9 C10 174.6(10) . .
N7 C10 C9 N9 -0.9(13) . .
N4 N5 C8 C7 0.0(12) . .
N4 N6 C7 C8 0.1(12) . .
Ag01 N6 C7 C8 -163.3(8) 2_566 .
N5 C8 C7 N6 0.0(14) . .
N5 N4 C6 C5 77.5(19) . .
N6 N4 C6 C5 -92.1(18) . .
C6' N4 C6 C5 160(8) . .
N4 C6 C5 C4 -175.8(13) . .
N2 N3 C3' C4' -143.8(16) . .
C1 N3 C3' C4' 78.8(18) . .
C3 N3 C3' C4' -40.0(15) . .
C6 C5 C4 C3 -75.1(19) . .
C5 C4 C3 N3 -177.1(12) . .
N2 N3 C3 C4 130.5(13) . .
C1 N3 C3 C4 -59.3(19) . .
C3' N3 C3 C4 30.1(15) . .
C6' C5' C4' C3' 150(3) . .
N3 C3' C4' C5' 150(2) . .
N5 N4 C6' C5' 118(2) . .
N6 N4 C6' C5' -76(3) . .
C6 N4 C6' C5' 9(5) . .
C4' C5' C6' N4 -170(2) . .
