#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:25:00 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180504 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/73/7217388.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_7217388
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Zhao, Zhi-Xiang'
'Zhao, Xiao-Jun'
'Bi, Yue'
'Yu, Jie'
'Wang, Xiu-Guang'
_publ_section_title
;
 Preparation, crystal structures and conformations of six complexes based
 on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              7023
_journal_paper_doi               10.1039/C4CE00215F
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C26 H32 Cu N4 O7 S'
_chemical_formula_weight         608.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 119.575(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.608(2)
_cell_length_b                   13.831(3)
_cell_length_c                   17.334(2)
_cell_measurement_reflns_used    2615
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.86
_cell_measurement_theta_min      2.37
_cell_volume                     2628.9(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0524
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13201
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.86
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.964
_exptl_absorpt_correction_T_max  0.8768
_exptl_absorpt_correction_T_min  0.8532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.960
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         4632
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0515
_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)+(0.0591P)²+4.7994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1366
_reflns_number_gt                3382
_reflns_number_total             4632
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7216372
_cod_data_source_file            c4ce00215f2.cif
_cod_data_source_block           n110630b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7217388
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Cu1 Cu 0.67186(5) 0.39454(3) 0.55991(3) 0.02590(18) Uani 1 1 d .
S1 S 0.60693(12) 0.57811(8) 0.43676(7) 0.0307(3) Uani 1 1 d .
O1 O 0.6808(3) 0.4896(2) 0.48016(19) 0.0327(7) Uani 1 1 d .
O2 O 0.5500(3) 0.6106(2) 0.4892(2) 0.0369(8) Uani 1 1 d .
O3 O 0.5108(3) 0.5520(2) 0.3480(2) 0.0391(8) Uani 1 1 d .
O4 O 0.6867(4) 0.6502(2) 0.4336(2) 0.0484(9) Uani 1 1 d .
O6 O 0.6758(3) 0.5008(2) 0.63595(18) 0.0293(7) Uani 1 1 d .
H6A H 0.6408 0.5434 0.5959 0.044 Uiso 1 1 d R
H6B H 0.6242 0.4861 0.6521 0.044 Uiso 1 1 d R
O7 O 0.9270(4) 0.4623(3) 0.6000(3) 0.0780(14) Uani 1 1 d .
H7A H 0.9894 0.4314 0.6070 0.117 Uiso 1 1 d R
H7B H 0.8986 0.4896 0.5498 0.117 Uiso 1 1 d R
O8 O 0.8971(5) 0.6212(4) 0.4279(4) 0.110(2) Uani 1 1 d .
H8A H 0.8400 0.6176 0.4406 0.165 Uiso 1 1 d R
H8B H 0.9470 0.5768 0.4583 0.165 Uiso 1 1 d R
N1 N 0.6395(3) 0.2898(2) 0.4753(2) 0.0259(8) Uani 1 1 d .
N2 N 0.5232(3) 0.1966(2) 0.3604(2) 0.0239(8) Uani 1 1 d .
N3 N -0.0977(3) 0.2547(2) 0.2848(2) 0.0222(8) Uani 1 1 d .
N4 N -0.2495(3) 0.1901(2) 0.1637(2) 0.0242(8) Uani 1 1 d .
C1 C 0.6418(4) 0.1693(3) 0.3883(3) 0.0198(9) Uani 1 1 d .
C2 C 0.7151(4) 0.2280(3) 0.4608(3) 0.0219(9) Uani 1 1 d .
C3 C 0.8401(4) 0.2188(3) 0.5044(3) 0.0277(10) Uani 1 1 d .
H3 H 0.8899 0.2579 0.5525 0.033 Uiso 1 1 calc R
C4 C 0.8878(4) 0.1497(3) 0.4742(3) 0.0317(11) Uani 1 1 d .
H4 H 0.9720 0.1414 0.5029 0.038 Uiso 1 1 calc R
C5 C 0.8148(4) 0.0913(3) 0.4017(3) 0.0302(10) Uani 1 1 d .
H5 H 0.8512 0.0450 0.3834 0.036 Uiso 1 1 calc R
C6 C 0.6907(4) 0.1005(3) 0.3569(3) 0.0238(9) Uani 1 1 d .
H6 H 0.6416 0.0625 0.3078 0.029 Uiso 1 1 calc R
C7 C 0.5283(4) 0.2679(3) 0.4141(3) 0.0278(10) Uani 1 1 d .
H7 H 0.4595 0.2990 0.4085 0.033 Uiso 1 1 calc R
C8 C 0.4111(4) 0.1547(3) 0.2879(3) 0.0267(10) Uani 1 1 d .
H8' H 0.4183 0.0849 0.2885 0.032 Uiso 1 1 calc R
H8" H 0.3989 0.1782 0.2314 0.032 Uiso 1 1 calc R
C9 C 0.3039(4) 0.1823(3) 0.2987(3) 0.0246(9) Uani 1 1 d .
C10 C 0.2800(4) 0.1294(3) 0.3577(3) 0.0274(10) Uani 1 1 d .
C11 C 0.1859(4) 0.1570(3) 0.3720(3) 0.0274(10) Uani 1 1 d .
C12 C 0.1205(4) 0.2407(3) 0.3323(3) 0.0237(9) Uani 1 1 d .
C13 C 0.1420(4) 0.2938(3) 0.2730(3) 0.0227(9) Uani 1 1 d .
C14 C 0.2336(4) 0.2641(3) 0.2556(3) 0.0244(9) Uani 1 1 d .
C15 C 0.3592(5) 0.0440(4) 0.4075(3) 0.0409(13) Uani 1 1 d .
H15A H 0.3775 0.0464 0.4682 0.061 Uiso 1 1 calc R
H15B H 0.4337 0.0464 0.4052 0.061 Uiso 1 1 calc R
H15C H 0.3167 -0.0149 0.3807 0.061 Uiso 1 1 calc R
C16 C 0.1546(5) 0.0961(4) 0.4305(3) 0.0450(13) Uani 1 1 d .
H16A H 0.1795 0.0305 0.4306 0.068 Uiso 1 1 calc R
H16B H 0.0682 0.0981 0.4082 0.068 Uiso 1 1 calc R
H16C H 0.1963 0.1211 0.4899 0.068 Uiso 1 1 calc R
C17 C 0.0678(4) 0.3832(3) 0.2285(3) 0.0284(10) Uani 1 1 d .
H17A H -0.0021 0.3854 0.2368 0.043 Uiso 1 1 calc R
H17B H 0.0414 0.3811 0.1663 0.043 Uiso 1 1 calc R
H17C H 0.1170 0.4397 0.2543 0.043 Uiso 1 1 calc R
C18 C 0.2594(5) 0.3226(3) 0.1936(3) 0.0384(12) Uani 1 1 d .
H18A H 0.1848 0.3502 0.1480 0.058 Uiso 1 1 calc R
H18B H 0.2940 0.2815 0.1672 0.058 Uiso 1 1 calc R
H18C H 0.3158 0.3734 0.2261 0.058 Uiso 1 1 calc R
C19 C 0.0262(4) 0.2769(3) 0.3548(3) 0.0274(10) Uani 1 1 d .
H19A H 0.0402 0.2475 0.4099 0.033 Uiso 1 1 calc R
H19B H 0.0347 0.3464 0.3636 0.033 Uiso 1 1 calc R
C20 C -0.2027(4) 0.3010(3) 0.2709(3) 0.0219(9) Uani 1 1 d .
C21 C -0.2978(4) 0.2601(3) 0.1943(3) 0.0232(9) Uani 1 1 d .
C22 C -0.4157(4) 0.2927(3) 0.1623(3) 0.0312(10) Uani 1 1 d .
H22 H -0.4800 0.2674 0.1106 0.037 Uiso 1 1 calc R
C23 C -0.4346(4) 0.3635(3) 0.2095(3) 0.0328(11) Uani 1 1 d .
H23 H -0.5132 0.3866 0.1892 0.039 Uiso 1 1 calc R
C24 C -0.3392(5) 0.4019(3) 0.2873(3) 0.0335(11) Uani 1 1 d .
H24 H -0.3559 0.4489 0.3181 0.040 Uiso 1 1 calc R
C25 C -0.2217(4) 0.3719(3) 0.3190(3) 0.0275(10) Uani 1 1 d .
H25 H -0.1576 0.3979 0.3703 0.033 Uiso 1 1 calc R
C26 C -0.1314(4) 0.1886(3) 0.2196(3) 0.0236(9) Uani 1 1 d .
H26 H -0.0774 0.1467 0.2148 0.028 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
O1 Cu1 N1 91.81(13) . .
O1 Cu1 N4 150.97(15) . 4_666
N1 Cu1 N4 93.99(14) . 4_666
O1 Cu1 O6 88.86(12) . .
N1 Cu1 O6 170.80(15) . .
N4 Cu1 O6 89.84(13) 4_666 .
O4 S1 O3 111.4(2) . .
O4 S1 O2 111.9(2) . .
O3 S1 O2 108.7(2) . .
O4 S1 O1 108.3(2) . .
O3 S1 O1 108.36(19) . .
O2 S1 O1 108.03(17) . .
S1 O1 Cu1 131.92(19) . .
Cu1 O6 H6A 98.1 . .
Cu1 O6 H6B 105.9 . .
H6A O6 H6B 105.1 . .
H7A O7 H7B 105.1 . .
H8A O8 H8B 105.1 . .
C7 N1 C2 105.4(3) . .
C7 N1 Cu1 121.5(3) . .
C2 N1 Cu1 133.0(3) . .
C7 N2 C1 106.7(3) . .
C7 N2 C8 125.6(4) . .
C1 N2 C8 127.7(3) . .
C26 N3 C20 106.8(3) . .
C26 N3 C19 127.1(3) . .
C20 N3 C19 126.0(3) . .
C26 N4 C21 106.3(3) . .
C26 N4 Cu1 122.9(3) . 4_465
C21 N4 Cu1 130.8(3) . 4_465
N2 C1 C6 131.9(4) . .
N2 C1 C2 106.2(3) . .
C6 C1 C2 121.9(4) . .
C3 C2 N1 131.1(4) . .
C3 C2 C1 120.7(4) . .
N1 C2 C1 108.1(4) . .
C4 C3 C2 117.1(4) . .
C4 C3 H3 121.4 . .
C2 C3 H3 121.4 . .
C3 C4 C5 122.2(4) . .
C3 C4 H4 118.9 . .
C5 C4 H4 118.9 . .
C6 C5 C4 121.4(4) . .
C6 C5 H5 119.3 . .
C4 C5 H5 119.3 . .
C5 C6 C1 116.6(4) . .
C5 C6 H6 121.7 . .
C1 C6 H6 121.7 . .
N1 C7 N2 113.6(4) . .
N1 C7 H7 123.2 . .
N2 C7 H7 123.2 . .
N2 C8 C9 109.7(3) . .
N2 C8 H8' 109.7 . .
C9 C8 H8' 109.7 . .
N2 C8 H8" 109.7 . .
C9 C8 H8" 109.7 . .
H8' C8 H8" 108.2 . .
C14 C9 C10 120.0(4) . .
C14 C9 C8 120.6(4) . .
C10 C9 C8 119.2(4) . .
C11 C10 C9 119.9(4) . .
C11 C10 C15 119.8(4) . .
C9 C10 C15 120.2(4) . .
C10 C11 C12 119.6(4) . .
C10 C11 C16 119.9(4) . .
C12 C11 C16 120.5(4) . .
C11 C12 C13 121.3(4) . .
C11 C12 C19 120.0(4) . .
C13 C12 C19 118.7(4) . .
C14 C13 C12 119.2(4) . .
C14 C13 C17 120.1(4) . .
C12 C13 C17 120.7(4) . .
C13 C14 C9 119.8(4) . .
C13 C14 C18 119.5(4) . .
C9 C14 C18 120.7(4) . .
C10 C15 H15A 109.5 . .
C10 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C10 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C13 C17 H17A 109.5 . .
C13 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C13 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C14 C18 H18A 109.5 . .
C14 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C14 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N3 C19 C12 111.8(3) . .
N3 C19 H19A 109.3 . .
C12 C19 H19A 109.3 . .
N3 C19 H19B 109.3 . .
C12 C19 H19B 109.3 . .
H19A C19 H19B 107.9 . .
N3 C20 C25 131.4(4) . .
N3 C20 C21 106.1(3) . .
C25 C20 C21 122.5(4) . .
N4 C21 C22 131.8(4) . .
N4 C21 C20 108.4(4) . .
C22 C21 C20 119.9(4) . .
C23 C22 C21 117.6(4) . .
C23 C22 H22 121.2 . .
C21 C22 H22 121.2 . .
C22 C23 C24 121.9(4) . .
C22 C23 H23 119.1 . .
C24 C23 H23 119.1 . .
C25 C24 C23 121.3(4) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C20 116.7(4) . .
C24 C25 H25 121.6 . .
C20 C25 H25 121.6 . .
N4 C26 N3 112.4(4) . .
N4 C26 H26 123.8 . .
N3 C26 H26 123.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.951(3) .
Cu1 N1 1.956(3) .
Cu1 N4 1.957(3) 4_666
Cu1 O6 1.958(3) .
S1 O4 1.436(4) .
S1 O3 1.458(3) .
S1 O2 1.479(3) .
S1 O1 1.497(3) .
O6 H6A 0.8500 .
O6 H6B 0.8500 .
O7 H7A 0.8496 .
O7 H7B 0.8500 .
O8 H8A 0.8504 .
O8 H8B 0.8507 .
N1 C7 1.309(6) .
N1 C2 1.393(5) .
N2 C7 1.335(5) .
N2 C1 1.378(5) .
N2 C8 1.470(5) .
N3 C26 1.349(5) .
N3 C20 1.380(5) .
N3 C19 1.461(5) .
N4 C26 1.316(5) .
N4 C21 1.380(5) .
N4 Cu1 1.957(3) 4_465
C1 C6 1.383(5) .
C1 C2 1.395(6) .
C2 C3 1.377(6) .
C3 C4 1.363(6) .
C3 H3 0.9300 .
C4 C5 1.392(7) .
C4 H4 0.9300 .
C5 C6 1.367(6) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.502(6) .
C8 H8' 0.9700 .
C8 H8" 0.9700 .
C9 C14 1.404(6) .
C9 C10 1.407(6) .
C10 C11 1.380(6) .
C10 C15 1.512(6) .
C11 C12 1.390(6) .
C11 C16 1.512(6) .
C12 C13 1.395(6) .
C12 C19 1.508(6) .
C13 C14 1.392(6) .
C13 C17 1.511(6) .
C14 C18 1.503(6) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C25 1.382(6) .
C20 C21 1.397(6) .
C21 C22 1.381(6) .
C22 C23 1.371(6) .
C22 H22 0.9300 .
C23 C24 1.394(7) .
C23 H23 0.9300 .
C24 C25 1.366(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 H26 0.9300 .
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
O4 S1 O1 Cu1 144.0(3) .
O3 S1 O1 Cu1 -95.0(3) .
O2 S1 O1 Cu1 22.6(3) .
N1 Cu1 O1 S1 119.0(3) .
N4 Cu1 O1 S1 -139.5(3) 4_666
O6 Cu1 O1 S1 -51.9(3) .
O1 Cu1 N1 C7 -88.6(3) .
N4 Cu1 N1 C7 119.9(3) 4_666
O6 Cu1 N1 C7 5.5(10) .
O1 Cu1 N1 C2 88.4(4) .
N4 Cu1 N1 C2 -63.1(4) 4_666
O6 Cu1 N1 C2 -177.5(6) .
C7 N2 C1 C6 -179.1(4) .
C8 N2 C1 C6 2.7(7) .
C7 N2 C1 C2 0.3(4) .
C8 N2 C1 C2 -177.9(4) .
C7 N1 C2 C3 179.8(4) .
Cu1 N1 C2 C3 2.5(7) .
C7 N1 C2 C1 -0.2(4) .
Cu1 N1 C2 C1 -177.5(3) .
N2 C1 C2 C3 180.0(4) .
C6 C1 C2 C3 -0.5(6) .
N2 C1 C2 N1 -0.1(4) .
C6 C1 C2 N1 179.4(3) .
N1 C2 C3 C4 179.5(4) .
C1 C2 C3 C4 -0.6(6) .
C2 C3 C4 C5 0.8(7) .
C3 C4 C5 C6 0.2(7) .
C4 C5 C6 C1 -1.2(6) .
N2 C1 C6 C5 -179.3(4) .
C2 C1 C6 C5 1.4(6) .
C2 N1 C7 N2 0.4(5) .
Cu1 N1 C7 N2 178.1(3) .
C1 N2 C7 N1 -0.4(5) .
C8 N2 C7 N1 177.8(4) .
C7 N2 C8 C9 -16.3(6) .
C1 N2 C8 C9 161.6(4) .
N2 C8 C9 C14 93.8(5) .
N2 C8 C9 C10 -81.5(5) .
C14 C9 C10 C11 1.2(6) .
C8 C9 C10 C11 176.5(4) .
C14 C9 C10 C15 -177.2(4) .
C8 C9 C10 C15 -1.8(6) .
C9 C10 C11 C12 -4.2(7) .
C15 C10 C11 C12 174.1(4) .
C9 C10 C11 C16 175.8(4) .
C15 C10 C11 C16 -5.9(7) .
C10 C11 C12 C13 4.8(6) .
C16 C11 C12 C13 -175.2(4) .
C10 C11 C12 C19 -173.8(4) .
C16 C11 C12 C19 6.2(6) .
C11 C12 C13 C14 -2.1(6) .
C19 C12 C13 C14 176.4(4) .
C11 C12 C13 C17 178.3(4) .
C19 C12 C13 C17 -3.1(6) .
C12 C13 C14 C9 -1.0(6) .
C17 C13 C14 C9 178.6(4) .
C12 C13 C14 C18 -178.4(4) .
C17 C13 C14 C18 1.2(6) .
C10 C9 C14 C13 1.4(6) .
C8 C9 C14 C13 -173.8(4) .
C10 C9 C14 C18 178.8(4) .
C8 C9 C14 C18 3.5(6) .
C26 N3 C19 C12 18.0(6) .
C20 N3 C19 C12 -159.0(4) .
C11 C12 C19 N3 -102.9(5) .
C13 C12 C19 N3 78.6(5) .
C26 N3 C20 C25 177.5(4) .
C19 N3 C20 C25 -5.0(7) .
C26 N3 C20 C21 -1.0(4) .
C19 N3 C20 C21 176.5(4) .
C26 N4 C21 C22 -180.0(4) .
Cu1 N4 C21 C22 0.2(7) 4_465
C26 N4 C21 C20 0.5(4) .
Cu1 N4 C21 C20 -179.3(3) 4_465
N3 C20 C21 N4 0.4(4) .
C25 C20 C21 N4 -178.3(4) .
N3 C20 C21 C22 -179.2(4) .
C25 C20 C21 C22 2.1(6) .
N4 C21 C22 C23 179.0(4) .
C20 C21 C22 C23 -1.5(6) .
C21 C22 C23 C24 -0.1(6) .
C22 C23 C24 C25 1.4(7) .
C23 C24 C25 C20 -0.9(6) .
N3 C20 C25 C24 -179.2(4) .
C21 C20 C25 C24 -0.8(6) .
C21 N4 C26 N3 -1.2(4) .
Cu1 N4 C26 N3 178.6(2) 4_465
C20 N3 C26 N4 1.4(4) .
C19 N3 C26 N4 -176.0(4) .
