#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/83/1518334.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_1518334
loop_
_publ_author_name
'Zhang, Wen-Li'
'Huang, Zhi-Peng'
'Ma, Cheng-Jie'
'Zai, Yu-Xia'
'Yang, Qing'
'Niu, Yun-Yin'
_publ_contact_author_name
;
;
_publ_section_title
;
 Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the
 construction of haloclusters supramolecules
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              52
_journal_page_last               60
_journal_paper_doi               10.1016/j.ica.2014.09.032
_journal_volume                  425
_journal_year                    2015
_chemical_formula_moiety         'C3 Cu2 N3 S3, C8 H14 N2'
_chemical_formula_sum            'C11 H14 Cu2 N5 S3'
_chemical_formula_weight         439.53
_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     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-09-04
_audit_creation_method
;
  Olex2 1.2
  (compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_cell_angle_alpha                107.439(7)
_cell_angle_beta                 104.091(7)
_cell_angle_gamma                94.198(6)
_cell_formula_units_Z            2
_cell_length_a                   8.1184(6)
_cell_length_b                   10.2788(7)
_cell_length_c                   11.1619(10)
_cell_measurement_reflns_used    2781
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      66.9645
_cell_measurement_theta_min      4.3199
_cell_volume                     851.06(13)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'J. Appl. Cryst. (2007) 40, 786-790'
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
  1 omega  -76.00  -51.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  178.0000 -180.0000 25

  2 omega  -77.00  -52.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  178.0000   90.0000 25

  3 omega  -42.00  -10.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000   30.0000   90.0000 32

  4 omega -113.00  -32.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000  178.0000  120.0000 81

  5 omega  -32.00   28.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000   30.0000  -60.0000 60

  6 omega  -85.00  -15.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000  -77.0000    0.0000 70

  7 omega  -54.00    3.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000   45.0000  120.0000 57

  8 omega -115.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000  -30.0000  120.0000 72

  9 omega   32.00   69.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000  -57.0000 -120.0000 37

 10 omega   29.00   95.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000  -99.0000  120.0000 66

 11 omega   41.00   97.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -45.0000  120.0000 56

 12 omega   44.00   96.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -45.0000 -180.0000 52

 13 omega   53.00  107.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -94.0000 -180.0000 54

 14 omega   61.00   94.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -45.0000   60.0000 33

 15 omega   52.00   94.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -61.0000 -150.0000 42

 16 omega   43.00   69.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -30.0000 -120.0000 26

 17 omega  113.00  178.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  111.0000 -120.0000 65

 18 omega   42.00   95.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -45.0000    0.0000 53

 19 omega  116.00  142.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  111.0000  150.0000 26

 20 omega   74.00  107.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -94.0000 -120.0000 33

 21 omega   47.00  108.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -94.0000  -30.0000 61

 22 omega   66.00  114.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000 -111.0000   90.0000 48

 23 omega   41.00   87.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -30.0000  -90.0000 46

 24 omega   97.00  177.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000   30.0000  -60.0000 80

 25 omega   56.00   97.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -45.0000  -60.0000 41

 26 omega   67.00  178.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      112.0000   15.0000 -120.0000 111

 27 omega  -30.00   70.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   77.0000   90.0000 100

 28 omega -113.00  -12.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000  -77.0000   90.0000 101

 29 omega -119.00  -32.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.5000  178.0000  -90.0000 87

 30 omega   35.00  125.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000   57.0000 -150.0000 90

 31 omega   26.00  126.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000   77.0000  -90.0000 100
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.1404745000
_diffrn_orient_matrix_UB_12      -0.0829130000
_diffrn_orient_matrix_UB_13      0.0425198000
_diffrn_orient_matrix_UB_21      -0.0103017000
_diffrn_orient_matrix_UB_22      0.0564600000
_diffrn_orient_matrix_UB_23      0.1419068000
_diffrn_orient_matrix_UB_31      -0.1393537000
_diffrn_orient_matrix_UB_32      -0.1234882000
_diffrn_orient_matrix_UB_33      -0.0273775000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6291
_diffrn_reflns_theta_full        67.08
_diffrn_reflns_theta_max         67.08
_diffrn_reflns_theta_min         4.32
_diffrn_source                   'Enhance (Cu) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_exptl_absorpt_coefficient_mu    6.513
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             442
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.306
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         3043
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0356
_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)+(0.0439P)²+0.3245P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0963
_reflns_number_gt                2416
_reflns_number_total             3043
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            CIFs_1-5.cif
_cod_data_source_block           4
_cod_original_cell_volume        851.05(12)
_cod_database_code               1518334
#BEGIN Tags that were not found in dictionaries:
_chemical_oxdiff_formula         'C11 H10 S O2'
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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
Cu1 Cu 0.55120(9) 0.46981(5) 0.87956(6) 0.06648(19) Uani 1 1 d .
Cu2 Cu 0.31703(7) 0.94993(5) 0.89928(6) 0.05979(17) Uani 1 1 d .
S1 S 0.26562(12) 0.40145(8) 0.90409(9) 0.0574(2) Uani 1 1 d .
S2 S 0.66546(16) 0.27783(10) 0.79106(10) 0.0683(3) Uani 1 1 d .
S3 S 0.33774(15) 0.80583(9) 0.70326(10) 0.0636(3) Uani 1 1 d .
N1 N 0.2657(4) 0.1269(3) 0.8969(3) 0.0574(7) Uani 1 1 d .
N2 N 0.6813(5) 0.1397(3) 0.9731(3) 0.0664(9) Uani 1 1 d .
N3 N 0.4915(4) 0.6029(3) 0.7891(3) 0.0574(7) Uani 1 1 d .
N4 N 0.8586(4) 0.6320(3) 0.6866(4) 0.0664(9) Uani 1 1 d .
N5 N 0.7321(4) 0.7615(3) 0.5884(3) 0.0606(8) Uani 1 1 d .
C1 C 0.2668(4) 0.2390(3) 0.9007(3) 0.0481(7) Uani 1 1 d .
C2 C 0.6740(5) 0.1984(3) 0.8998(4) 0.0553(8) Uani 1 1 d .
C3 C 0.4287(5) 0.6864(3) 0.7555(3) 0.0489(8) Uani 1 1 d .
C4 C 0.7886(8) 0.5535(5) 0.5564(6) 0.0981(17) Uani 1 1 d .
H4 H 0.7958 0.4610 0.5183 0.118 Uiso 1 1 calc R
C5 C 0.7096(8) 0.6336(5) 0.4958(5) 0.0940(16) Uani 1 1 d .
H5 H 0.6503 0.6084 0.4077 0.113 Uiso 1 1 calc R
C6 C 0.8218(4) 0.7576(3) 0.7024(4) 0.0519(8) Uani 1 1 d .
C7 C 0.6695(6) 0.8823(5) 0.5576(5) 0.0793(13) Uani 1 1 d .
H7A H 0.6755 0.9550 0.6382 0.095 Uiso 1 1 calc R
H7B H 0.5501 0.8564 0.5059 0.095 Uiso 1 1 calc R
C8 C 0.7743(8) 0.9357(8) 0.4830(7) 0.123(3) Uani 1 1 d .
H8A H 0.7576 0.8644 0.3993 0.148 Uiso 1 1 calc R
H8B H 0.7276 1.0143 0.4653 0.148 Uiso 1 1 calc R
C9 C 0.9486(7) 0.9753(8) 0.5402(7) 0.121(2) Uani 1 1 d .
H9A H 0.9956 0.8977 0.5602 0.145 Uiso 1 1 calc R
H9B H 0.9662 1.0489 0.6225 0.145 Uiso 1 1 calc R
C10 C 0.9595(7) 0.5835(6) 0.7874(6) 0.1033(19) Uani 1 1 d .
H10A H 0.9046 0.5939 0.8560 0.155 Uiso 1 1 calc R
H10B H 1.0728 0.6368 0.8226 0.155 Uiso 1 1 calc R
H10C H 0.9676 0.4879 0.7498 0.155 Uiso 1 1 calc R
C11 C 0.8701(6) 0.8725(5) 0.8259(4) 0.0729(11) Uani 1 1 d .
H11A H 0.7686 0.8963 0.8514 0.109 Uiso 1 1 calc R
H11B H 0.9288 0.9509 0.8150 0.109 Uiso 1 1 calc R
H11C H 0.9448 0.8458 0.8925 0.109 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 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
S1 Cu1 Cu1 52.58(3) . 2_667
S1 Cu1 Cu1 54.44(3) 2_667 2_667
S1 Cu1 S1 107.02(4) 2_667 .
S2 Cu1 Cu1 125.14(4) . 2_667
S2 Cu1 S1 109.58(4) . 2_667
S2 Cu1 S1 110.45(4) . .
N3 Cu1 Cu1 112.34(10) . 2_667
N3 Cu1 S1 99.15(11) . .
N3 Cu1 S1 107.13(9) . 2_667
N3 Cu1 S2 122.28(10) . .
N1 Cu2 S3 114.52(10) 1_565 .
N1 Cu2 N2 131.02(14) 1_565 2_667
N2 Cu2 S3 113.62(10) 2_667 .
Cu1 S1 Cu1 72.98(4) 2_667 .
C1 S1 Cu1 103.58(13) . .
C1 S1 Cu1 102.60(12) . 2_667
C2 S2 Cu1 101.59(13) . .
C3 S3 Cu2 98.86(12) . .
C1 N1 Cu2 167.5(3) . 1_545
C2 N2 Cu2 175.8(3) . 2_667
C3 N3 Cu1 162.6(3) . .
C4 N4 C10 125.4(4) . .
C6 N4 C4 108.2(4) . .
C6 N4 C10 126.4(4) . .
C5 N5 C7 123.2(4) . .
C6 N5 C5 109.3(4) . .
C6 N5 C7 127.5(4) . .
N1 C1 S1 179.1(4) . .
N2 C2 S2 177.9(3) . .
N3 C3 S3 178.7(3) . .
N4 C4 H4 126.2 . .
C5 C4 N4 107.6(4) . .
C5 C4 H4 126.2 . .
N5 C5 H5 126.7 . .
C4 C5 N5 106.7(4) . .
C4 C5 H5 126.7 . .
N4 C6 N5 108.3(3) . .
N4 C6 C11 125.8(4) . .
N5 C6 C11 125.9(4) . .
N5 C7 H7A 109.3 . .
N5 C7 H7B 109.3 . .
N5 C7 C8 111.4(4) . .
H7A C7 H7B 108.0 . .
C8 C7 H7A 109.3 . .
C8 C7 H7B 109.3 . .
C7 C8 H8A 107.9 . .
C7 C8 H8B 107.9 . .
H8A C8 H8B 107.2 . .
C9 C8 C7 117.7(5) . .
C9 C8 H8A 107.9 . .
C9 C8 H8B 107.9 . .
C8 C9 C9 116.2(7) . 2_776
C8 C9 H9A 108.2 . .
C8 C9 H9B 108.2 . .
C9 C9 H9A 108.2 2_776 .
C9 C9 H9B 108.2 2_776 .
H9A C9 H9B 107.4 . .
N4 C10 H10A 109.5 . .
N4 C10 H10B 109.5 . .
N4 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C6 C11 H11A 109.5 . .
C6 C11 H11B 109.5 . .
C6 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 Cu1 2.9102(13) 2_667
Cu1 S1 2.4758(12) .
Cu1 S1 2.4170(11) 2_667
Cu1 S2 2.2970(11) .
Cu1 N3 1.953(3) .
Cu2 S3 2.2984(12) .
Cu2 N1 1.902(3) 1_565
Cu2 N2 1.913(3) 2_667
S1 Cu1 2.4170(11) 2_667
S1 C1 1.659(3) .
S2 C2 1.645(4) .
S3 C3 1.657(3) .
N1 Cu2 1.902(3) 1_545
N1 C1 1.139(4) .
N2 Cu2 1.913(3) 2_667
N2 C2 1.146(5) .
N3 C3 1.141(4) .
N4 C4 1.384(6) .
N4 C6 1.316(4) .
N4 C10 1.460(5) .
N5 C5 1.374(6) .
N5 C6 1.317(5) .
N5 C7 1.477(5) .
C4 H4 0.9300 .
C4 C5 1.321(7) .
C5 H5 0.9300 .
C6 C11 1.464(5) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 C8 1.506(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 C9 1.377(8) .
C9 C9 1.529(10) 2_776
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
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
Cu1 Cu1 S1 C1 -99.25(13) 2_667 .
Cu1 Cu1 S2 C2 -1.50(16) 2_667 .
Cu1 Cu1 N3 C3 -19.9(10) 2_667 .
Cu1 S1 C1 N1 -120(24) . .
Cu1 S1 C1 N1 165(24) 2_667 .
Cu1 S2 C2 N2 172(10) . .
Cu1 N3 C3 S3 -143(15) . .
Cu2 S3 C3 N3 -178(100) . .
Cu2 N1 C1 S1 139(23) 1_545 .
Cu2 N2 C2 S2 -159(7) 2_667 .
S1 Cu1 S1 Cu1 0.0 2_667 2_667
S1 Cu1 S1 C1 -99.25(13) 2_667 .
S1 Cu1 S2 C2 58.20(15) 2_667 .
S1 Cu1 S2 C2 -59.45(15) . .
S1 Cu1 N3 C3 33.3(10) . .
S1 Cu1 N3 C3 -77.8(10) 2_667 .
S2 Cu1 S1 Cu1 119.22(4) . 2_667
S2 Cu1 S1 C1 19.97(13) . .
S2 Cu1 N3 C3 154.6(10) . .
N1 Cu2 S3 C3 166.50(17) 1_565 .
N2 Cu2 S3 C3 -22.80(18) 2_667 .
N3 Cu1 S1 Cu1 -111.19(9) . 2_667
N3 Cu1 S1 C1 149.57(15) . .
N3 Cu1 S2 C2 -175.32(18) . .
N4 C4 C5 N5 0.5(7) . .
N5 C7 C8 C9 -57.9(9) . .
C4 N4 C6 N5 0.0(5) . .
C4 N4 C6 C11 179.2(4) . .
C5 N5 C6 N4 0.3(5) . .
C5 N5 C6 C11 -178.9(4) . .
C5 N5 C7 C8 -71.8(6) . .
C6 N4 C4 C5 -0.3(6) . .
C6 N5 C5 C4 -0.5(6) . .
C6 N5 C7 C8 105.2(6) . .
C7 N5 C5 C4 176.9(4) . .
C7 N5 C6 N4 -176.9(4) . .
C7 N5 C6 C11 3.8(6) . .
C7 C8 C9 C9 178.2(7) . 2_776
C10 N4 C4 C5 -178.8(5) . .
C10 N4 C6 N5 178.5(4) . .
C10 N4 C6 C11 -2.3(7) . .
