#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:24:26 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179629 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/93/4509379.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509379
loop_
_publ_author_name
'Chen, Jian-Qiao'
'Cai, Yue-Peng'
'Fang, Hua-Cai'
'Zhou, Zheng-Yuan'
'Zhan, Xu-Lin'
'Zhao, Gang'
'Zhang, Zhong'
_publ_section_title
;
 Construction of Three-Dimensional Metal−Organic Frameworks with
 Helical Character through Coordinative and Supramolecular Interactions
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1605
_journal_paper_doi               10.1021/cg8013317
_journal_volume                  9
_journal_year                    2009
_chemical_formula_moiety         'C22 H18 Cl2 Co N4, C3 H7 N O, C H4 O, H2 O'
_chemical_formula_sum            'C26 H31 Cl2 Co N5 O3'
_chemical_formula_weight         591.39
_chemical_name_systematic
;

 ?

;
_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'
_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                 107.098(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2359(17)
_cell_length_b                   12.5159(15)
_cell_length_c                   18.101(2)
_cell_measurement_reflns_used    597
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      14.20
_cell_measurement_theta_min      2.29
_cell_volume                     3082.6(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0740
_diffrn_reflns_av_sigmaI/netI    0.1926
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15990
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    0.763
_exptl_absorpt_correction_T_max  0.8941
_exptl_absorpt_correction_T_min  0.8263
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.775
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       0.0046(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         5735
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.2038
_refine_ls_R_factor_gt           0.0680
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0880P)²+0.2780P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1741
_refine_ls_wR_factor_ref         0.2232
_reflns_number_gt                2000
_reflns_number_total             5735
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8013317sup2.cif
_cod_data_source_block           c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3082.7(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4509379
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Co1 Co 0.25736(4) 0.66534(5) 1.02313(3) 0.05040(16) Uani 1 1 d .
Cl1 Cl 0.22959(12) 0.83776(12) 1.03711(8) 0.1097(6) Uani 1 1 d .
Cl2 Cl 0.29081(9) 0.57582(11) 1.13541(6) 0.0808(5) Uani 1 1 d .
O1 O 0.2842(3) 1.0383(5) 0.7504(2) 0.159(2) Uani 1 1 d .
O2 O 0.8647(7) 0.8648(7) 0.9222(5) 0.213(4) Uani 0.50 1 d P
O2' O 0.8184(8) 0.8899(8) 0.8816(6) 0.278(5) Uani 0.50 1 d P
O3 O 0.8495(3) 0.7239(4) 0.9525(2) 0.181(2) Uani 1 1 d D
H3A H 0.8165(10) 0.7379(18) 0.9063(4) 0.271 Uiso 1 1 d D
H3B H 0.8988(5) 0.7649(8) 0.9683(12) 0.271 Uiso 1 1 d D
N1 N 0.3664(2) 0.6428(3) 0.97560(19) 0.0717(13) Uani 1 1 d .
N2 N 0.4462(2) 0.5972(3) 0.89166(17) 0.0617(12) Uani 1 1 d .
N3 N 0.4763(2) 0.9735(3) 0.59734(18) 0.0639(12) Uani 1 1 d .
N4 N 0.3600(2) 1.0969(3) 0.55235(18) 0.0644(12) Uani 1 1 d .
N5 N 0.3956(3) 0.9650(4) 0.8498(3) 0.119(2) Uani 1 1 d .
C1 C 0.4661(3) 0.6673(4) 1.0069(2) 0.0642(15) Uani 1 1 d .
C2 C 0.5143(4) 0.7132(4) 1.0756(3) 0.0837(18) Uani 1 1 d .
H2 H 0.4801 0.7342 1.1098 0.100 Uiso 1 1 calc R
C3 C 0.6151(4) 0.7284(5) 1.0942(3) 0.117(3) Uani 1 1 d .
H3 H 0.6496 0.7555 1.1424 0.140 Uiso 1 1 calc R
C4 C 0.6651(4) 0.7026(5) 1.0397(3) 0.106(2) Uani 1 1 d .
H4 H 0.7316 0.7185 1.0511 0.128 Uiso 1 1 calc R
C5 C 0.6181(3) 0.6548(4) 0.9703(3) 0.091(2) Uani 1 1 d .
H5 H 0.6516 0.6339 0.9357 0.109 Uiso 1 1 calc R
C6 C 0.5189(3) 0.6397(4) 0.9553(2) 0.0665(16) Uani 1 1 d .
C7 C 0.3594(3) 0.6006(4) 0.9070(2) 0.0725(16) Uani 1 1 d .
H7 H 0.3008 0.5760 0.8732 0.087 Uiso 1 1 calc R
C8 C 0.4627(3) 0.5572(4) 0.8207(2) 0.0742(16) Uani 1 1 d .
H8A H 0.4057 0.5164 0.7921 0.089 Uiso 1 1 calc R
H8B H 0.5186 0.5091 0.8343 0.089 Uiso 1 1 calc R
C9 C 0.4819(3) 0.6454(4) 0.7682(2) 0.0639(15) Uani 1 1 d .
C10 C 0.4094(3) 0.7180(4) 0.7324(3) 0.0843(19) Uani 1 1 d .
H10 H 0.3488 0.7150 0.7420 0.101 Uiso 1 1 calc R
C11 C 0.4254(3) 0.7946(4) 0.6828(3) 0.0834(18) Uani 1 1 d .
H11 H 0.3765 0.8440 0.6608 0.100 Uiso 1 1 calc R
C12 C 0.5127(3) 0.7983(4) 0.6659(2) 0.0621(15) Uani 1 1 d .
C13 C 0.5862(3) 0.7280(4) 0.7023(3) 0.0859(18) Uani 1 1 d .
H13 H 0.6473 0.7317 0.6935 0.103 Uiso 1 1 calc R
C14 C 0.5690(3) 0.6530(4) 0.7514(3) 0.0920(18) Uani 1 1 d .
H14 H 0.6187 0.6048 0.7744 0.110 Uiso 1 1 calc R
C15 C 0.5298(3) 0.8726(4) 0.6047(2) 0.0763(16) Uani 1 1 d .
H15A H 0.5995 0.8878 0.6172 0.092 Uiso 1 1 calc R
H15B H 0.5102 0.8362 0.5552 0.092 Uiso 1 1 calc R
C16 C 0.5040(3) 1.0610(4) 0.6454(2) 0.0651(15) Uani 1 1 d .
C17 C 0.5857(4) 1.0802(5) 0.7105(3) 0.095(2) Uani 1 1 d .
H17 H 0.6351 1.0299 0.7288 0.113 Uiso 1 1 calc R
C18 C 0.5871(4) 1.1779(5) 0.7448(3) 0.100(2) Uani 1 1 d .
H18 H 0.6390 1.1937 0.7884 0.120 Uiso 1 1 calc R
C19 C 0.5150(4) 1.2540(4) 0.7174(3) 0.098(2) Uani 1 1 d .
H19 H 0.5208 1.3192 0.7430 0.117 Uiso 1 1 calc R
C20 C 0.4338(4) 1.2373(4) 0.6530(2) 0.0836(18) Uani 1 1 d .
H20 H 0.3849 1.2885 0.6356 0.100 Uiso 1 1 calc R
C21 C 0.4310(3) 1.1377(4) 0.6165(2) 0.0687(16) Uani 1 1 d .
C22 C 0.3919(3) 0.9993(4) 0.5431(2) 0.0693(16) Uani 1 1 d .
H22 H 0.3592 0.9536 0.5034 0.083 Uiso 1 1 calc R
C23 C 0.3642(4) 1.0212(5) 0.7840(3) 0.120(3) Uani 1 1 d .
H23 H 0.4121 1.0489 0.7639 0.144 Uiso 1 1 calc R
C24 C 0.3246(6) 0.9182(8) 0.8822(4) 0.268(5) Uani 1 1 d .
H24A H 0.2689 0.8945 0.8412 0.403 Uiso 1 1 calc R
H24B H 0.3040 0.9704 0.9130 0.403 Uiso 1 1 calc R
H24C H 0.3536 0.8584 0.9139 0.403 Uiso 1 1 calc R
C25 C 0.5045(5) 0.9472(6) 0.8844(3) 0.199(5) Uani 1 1 d .
H25A H 0.5306 0.9146 0.8466 0.298 Uiso 1 1 calc R
H25B H 0.5157 0.9010 0.9285 0.298 Uiso 1 1 calc R
H25C H 0.5365 1.0145 0.9001 0.298 Uiso 1 1 calc R
C26 C 0.8903(5) 0.9534(11) 0.8753(4) 0.279(6) Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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 Co1 N4 104.00(14) . 2_546
N1 Co1 Cl1 111.85(12) . .
N4 Co1 Cl1 110.54(11) 2_546 .
N1 Co1 Cl2 109.47(10) . .
N4 Co1 Cl2 108.35(11) 2_546 .
Cl1 Co1 Cl2 112.27(6) . .
H3A O3 H3B 111.8(17) . .
C7 N1 C1 104.8(4) . .
C7 N1 Co1 127.1(3) . .
C1 N1 Co1 128.1(3) . .
C7 N2 C6 108.6(4) . .
C7 N2 C8 126.0(3) . .
C6 N2 C8 125.4(4) . .
C22 N3 C16 107.2(4) . .
C22 N3 C15 127.1(4) . .
C16 N3 C15 125.7(3) . .
C22 N4 C21 104.6(3) . .
C22 N4 Co1 123.4(2) . 2_556
C21 N4 Co1 131.5(3) . 2_556
C23 N5 C24 119.1(5) . .
C23 N5 C25 118.7(5) . .
C24 N5 C25 122.1(5) . .
C2 C1 N1 130.0(4) . .
C2 C1 C6 119.3(4) . .
N1 C1 C6 110.7(3) . .
C1 C2 C3 119.1(5) . .
C1 C2 H2 120.4 . .
C3 C2 H2 120.4 . .
C2 C3 C4 119.8(5) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C5 C4 C3 121.8(5) . .
C5 C4 H4 119.1 . .
C3 C4 H4 119.1 . .
C6 C5 C4 115.9(5) . .
C6 C5 H5 122.0 . .
C4 C5 H5 122.0 . .
C5 C6 C1 123.8(4) . .
C5 C6 N2 133.0(4) . .
C1 C6 N2 103.2(4) . .
N1 C7 N2 112.6(4) . .
N1 C7 H7 123.7 . .
N2 C7 H7 123.7 . .
N2 C8 C9 113.8(4) . .
N2 C8 H8A 108.8 . .
C9 C8 H8A 108.8 . .
N2 C8 H8B 108.8 . .
C9 C8 H8B 108.8 . .
H8A C8 H8B 107.7 . .
C14 C9 C10 116.8(4) . .
C14 C9 C8 121.8(4) . .
C10 C9 C8 121.2(4) . .
C11 C10 C9 121.2(4) . .
C11 C10 H10 119.4 . .
C9 C10 H10 119.4 . .
C12 C11 C10 120.4(4) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C13 118.9(4) . .
C11 C12 C15 122.4(4) . .
C13 C12 C15 118.6(4) . .
C14 C13 C12 119.7(5) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C9 C14 C13 122.8(4) . .
C9 C14 H14 118.6 . .
C13 C14 H14 118.6 . .
N3 C15 C12 113.9(4) . .
N3 C15 H15A 108.8 . .
C12 C15 H15A 108.8 . .
N3 C15 H15B 108.8 . .
C12 C15 H15B 108.8 . .
H15A C15 H15B 107.7 . .
N3 C16 C21 105.4(3) . .
N3 C16 C17 132.3(4) . .
C21 C16 C17 122.3(4) . .
C18 C17 C16 115.5(5) . .
C18 C17 H17 122.3 . .
C16 C17 H17 122.3 . .
C17 C18 C19 122.8(5) . .
C17 C18 H18 118.6 . .
C19 C18 H18 118.6 . .
C18 C19 C20 122.9(5) . .
C18 C19 H19 118.6 . .
C20 C19 H19 118.6 . .
C19 C20 C21 115.3(4) . .
C19 C20 H20 122.3 . .
C21 C20 H20 122.3 . .
N4 C21 C16 109.7(4) . .
N4 C21 C20 129.1(4) . .
C16 C21 C20 121.1(4) . .
N4 C22 N3 113.1(4) . .
N4 C22 H22 123.4 . .
N3 C22 H22 123.4 . .
O1 C23 N5 126.2(6) . .
O1 C23 H23 116.9 . .
N5 C23 H23 116.9 . .
N5 C24 H24A 109.5 . .
N5 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N5 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N5 C25 H25A 109.5 . .
N5 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
N5 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O2' C26 O2 35.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 2.004(4) .
Co1 N4 2.013(3) 2_546
Co1 Cl1 2.2218(16) .
Co1 Cl2 2.2457(13) .
O1 C23 1.142(7) .
O2 C26 1.505(13) .
O2' C26 1.327(14) .
O3 H3A 0.848(7) .
O3 H3B 0.847(7) .
N1 C7 1.326(5) .
N1 C1 1.400(5) .
N2 C7 1.344(6) .
N2 C6 1.408(5) .
N2 C8 1.461(5) .
N3 C22 1.349(5) .
N3 C16 1.382(5) .
N3 C15 1.460(6) .
N4 C22 1.330(6) .
N4 C21 1.393(5) .
N4 Co1 2.013(3) 2_556
N5 C23 1.341(7) .
N5 C24 1.433(9) .
N5 C25 1.509(7) .
C1 C2 1.358(6) .
C1 C6 1.403(6) .
C2 C3 1.387(7) .
C2 H2 0.9300 .
C3 C4 1.414(8) .
C3 H3 0.9300 .
C4 C5 1.374(7) .
C4 H4 0.9300 .
C5 C6 1.370(6) .
C5 H5 0.9300 .
C7 H7 0.9300 .
C8 C9 1.533(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C14 1.363(6) .
C9 C10 1.384(6) .
C10 C11 1.376(7) .
C10 H10 0.9300 .
C11 C12 1.365(6) .
C11 H11 0.9300 .
C12 C13 1.378(6) .
C12 C15 1.519(6) .
C13 C14 1.363(7) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C21 1.399(6) .
C16 C17 1.411(6) .
C17 C18 1.368(8) .
C17 H17 0.9300 .
C18 C19 1.381(7) .
C18 H18 0.9300 .
C19 C20 1.395(6) .
C19 H19 0.9300 .
C20 C21 1.406(6) .
C20 H20 0.9300 .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
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
O3 H3A O2' 0.848(7) 1.96(2) 2.413(11) 112.6(17)
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
N4 Co1 N1 C7 5.2(4) 2_546
Cl1 Co1 N1 C7 -114.1(4) .
Cl2 Co1 N1 C7 120.8(4) .
N4 Co1 N1 C1 -174.6(4) 2_546
Cl1 Co1 N1 C1 66.1(4) .
Cl2 Co1 N1 C1 -59.0(4) .
C7 N1 C1 C2 179.2(5) .
Co1 N1 C1 C2 -1.0(7) .
C7 N1 C1 C6 0.4(5) .
Co1 N1 C1 C6 -179.7(3) .
N1 C1 C2 C3 179.3(5) .
C6 C1 C2 C3 -2.1(7) .
C1 C2 C3 C4 4.1(9) .
C2 C3 C4 C5 -5.2(9) .
C3 C4 C5 C6 3.9(8) .
C4 C5 C6 C1 -1.9(8) .
C4 C5 C6 N2 178.1(5) .
C2 C1 C6 C5 1.0(7) .
N1 C1 C6 C5 179.9(4) .
C2 C1 C6 N2 -179.0(4) .
N1 C1 C6 N2 -0.1(5) .
C7 N2 C6 C5 179.7(5) .
C8 N2 C6 C5 -0.8(8) .
C7 N2 C6 C1 -0.3(5) .
C8 N2 C6 C1 179.2(4) .
C1 N1 C7 N2 -0.6(5) .
Co1 N1 C7 N2 179.5(3) .
C6 N2 C7 N1 0.6(5) .
C8 N2 C7 N1 -178.9(4) .
C7 N2 C8 C9 106.5(5) .
C6 N2 C8 C9 -72.8(5) .
N2 C8 C9 C14 116.9(5) .
N2 C8 C9 C10 -66.4(5) .
C14 C9 C10 C11 -0.6(7) .
C8 C9 C10 C11 -177.4(4) .
C9 C10 C11 C12 2.1(7) .
C10 C11 C12 C13 -3.4(7) .
C10 C11 C12 C15 172.8(4) .
C11 C12 C13 C14 3.3(7) .
C15 C12 C13 C14 -173.1(4) .
C10 C9 C14 C13 0.4(7) .
C8 C9 C14 C13 177.2(4) .
C12 C13 C14 C9 -1.8(7) .
C22 N3 C15 C12 -100.5(5) .
C16 N3 C15 C12 79.7(5) .
C11 C12 C15 N3 32.5(6) .
C13 C12 C15 N3 -151.3(4) .
C22 N3 C16 C21 0.5(5) .
C15 N3 C16 C21 -179.7(4) .
C22 N3 C16 C17 -179.0(5) .
C15 N3 C16 C17 0.8(8) .
N3 C16 C17 C18 -178.7(5) .
C21 C16 C17 C18 1.8(8) .
C16 C17 C18 C19 -1.1(8) .
C17 C18 C19 C20 0.9(9) .
C18 C19 C20 C21 -1.2(8) .
C22 N4 C21 C16 -1.1(5) .
Co1 N4 C21 C16 -173.6(3) 2_556
C22 N4 C21 C20 -178.6(5) .
Co1 N4 C21 C20 9.0(8) 2_556
N3 C16 C21 N4 0.4(5) .
C17 C16 C21 N4 180.0(4) .
N3 C16 C21 C20 178.1(4) .
C17 C16 C21 C20 -2.4(7) .
C19 C20 C21 N4 179.1(5) .
C19 C20 C21 C16 1.9(7) .
C21 N4 C22 N3 1.5(5) .
Co1 N4 C22 N3 174.7(3) 2_556
C16 N3 C22 N4 -1.3(5) .
C15 N3 C22 N4 178.9(4) .
C24 N5 C23 O1 1.7(11) .
C25 N5 C23 O1 177.7(7) .
