#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/03/2210300.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2210300
loop_
_publ_author_name
'He, Hong-Shan'
_publ_section_title
;
 A second polymorph of
 {tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II)
 diperchlorate
;
_journal_coeditor_code           IS2053
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2156
_journal_page_last               m2158
_journal_paper_doi               10.1107/S1600536806028868
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu (C21 H30 N10)] (Cl O4)2'
_chemical_formula_moiety         'C21 H30 Cu N10 2+, 2Cl O4 -'
_chemical_formula_sum            'C21 H30 Cl2 Cu N10 O8'
_chemical_formula_weight         684.99
_chemical_name_systematic
;
{tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II)
bis(perchlorate)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 118.220(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7278(6)
_cell_length_b                   13.8859(6)
_cell_length_c                   11.1108(7)
_cell_measurement_reflns_used    3045
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_volume                     1458.39(14)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        DENZO
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_diffrn_ambient_temperature      150.0(10)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5771
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.08
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_T_max  0.9613
_exptl_absorpt_correction_T_min  0.8035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             706
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.162
_refine_diff_density_min         -0.938
_refine_ls_abs_structure_details 'Flack (1983), 2461 Friedel pairs'
_refine_ls_abs_structure_Flack   0.06(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         5771
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0824
_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)+(0.1344P)²+6.0122P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2332
_refine_ls_wR_factor_ref         0.2435
_reflns_number_gt                4982
_reflns_number_total             5771
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            is2053.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2210300
_cod_database_fobs_code          2210300
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Cu Cu 0.35175(10) 0.16513(7) 0.16139(10) 0.0348(3) Uani d . 1
Cl Cl1 0.3518(2) 0.75204(17) 0.1958(2) 0.0393(5) Uani d . 1
O O1 0.2727(8) 0.8092(7) 0.0764(7) 0.060(2) Uani d . 1
O O2 0.5000(8) 0.7789(8) 0.2568(8) 0.071(3) Uani d . 1
O O3 0.3341(10) 0.6544(8) 0.1575(9) 0.072(2) Uani d . 1
O O4 0.2977(8) 0.7666(6) 0.2902(7) 0.0501(16) Uani d . 1
Cl Cl2 0.9861(2) 0.31374(16) 0.4828(2) 0.0417(5) Uani d . 1
O O5 0.9879(11) 0.2126(6) 0.4997(10) 0.065(2) Uani d . 1
O O6 0.8530(10) 0.3421(7) 0.3644(10) 0.072(2) Uani d . 1
O O7 1.1014(11) 0.3401(9) 0.4621(11) 0.081(3) Uani d . 1
O O8 0.9971(10) 0.3561(7) 0.6057(9) 0.066(2) Uani d . 1
N N1 0.3244(7) 0.3992(6) 0.1518(7) 0.0348(15) Uani d . 1
N N2 0.1311(8) 0.2471(5) 0.0551(8) 0.0348(15) Uani d . 1
N N3 0.2336(7) 0.0902(6) -0.0143(7) 0.0347(15) Uani d . 1
N N4 0.1334(9) -0.0061(6) -0.1878(8) 0.0452(19) Uani d . 1
H NH4 0.1218 -0.0538 -0.2416 0.054 Uiso calc R 1
N N5 0.4279(8) 0.2419(6) 0.3413(7) 0.0371(16) Uani d . 1
N N6 0.2884(9) 0.0781(6) 0.2682(8) 0.0415(17) Uani d . 1
N N7 0.2104(8) -0.0162(5) 0.3739(8) 0.0392(17) Uani d . 1
H NH7 0.1694 -0.0646 0.3886 0.047 Uiso calc R 1
N N8 0.4532(7) 0.2428(5) 0.0779(7) 0.0331(14) Uani d . 1
N N9 0.5639(9) 0.0705(7) 0.2250(9) 0.0468(19) Uani d . 1
N N10 0.7760(9) 0.0064(6) 0.2869(9) 0.049(2) Uani d . 1
H NH10 0.8462 -0.0328 0.3238 0.058 Uiso calc R 1
C C1 0.1762(9) 0.4209(6) 0.0785(10) 0.039(2) Uani d . 1
H H1A 0.1483 0.4306 -0.0173 0.047 Uiso calc R 1
H H1B 0.1572 0.4799 0.1138 0.047 Uiso calc R 1
C C2 0.0905(10) 0.3384(6) 0.0938(10) 0.0389(19) Uani d . 1
H H2A 0.1079 0.3349 0.1876 0.047 Uiso calc R 1
H H2B -0.0096 0.3500 0.0358 0.047 Uiso calc R 1
C C3 0.0493(10) 0.2091(7) -0.0594(10) 0.042(2) Uani d . 1
H H3 -0.0394 0.2350 -0.1163 0.050 Uiso calc R 1
C C4 0.0999(10) 0.1230(6) -0.0981(9) 0.0358(18) Uani d . 1
C C5 0.2504(12) 0.0109(8) -0.0703(11) 0.047(2) Uani d . 1
H H5 0.3311 -0.0273 -0.0335 0.057 Uiso calc R 1
C C6 0.0337(11) 0.0648(7) -0.2100(10) 0.044(2) Uani d . 1
C C7 -0.1038(12) 0.0664(8) -0.3311(10) 0.048(2) Uani d . 1
H H7A -0.1555 0.1221 -0.3286 0.073 Uiso calc R 1
H H7B -0.1555 0.0093 -0.3336 0.073 Uiso calc R 1
H H7C -0.0913 0.0689 -0.4111 0.073 Uiso calc R 1
C C8 0.3981(11) 0.4161(6) 0.2982(10) 0.042(2) Uani d . 1
H H8A 0.3296 0.4215 0.3316 0.050 Uiso calc R 1
H H8B 0.4493 0.4765 0.3166 0.050 Uiso calc R 1
C C9 0.5028(10) 0.3341(7) 0.3750(10) 0.0388(19) Uani d . 1
H H9A 0.5775 0.3328 0.3493 0.047 Uiso calc R 1
H H9B 0.5456 0.3452 0.4727 0.047 Uiso calc R 1
C C10 0.3916(9) 0.2074(7) 0.4277(10) 0.0391(19) Uani d . 1
H H10 0.4124 0.2390 0.5089 0.047 Uiso calc R 1
C C11 0.3167(9) 0.1168(7) 0.3915(9) 0.0357(18) Uani d . 1
C C12 0.2249(11) -0.0043(7) 0.2598(11) 0.045(2) Uani d . 1
H H12 0.1947 -0.0476 0.1874 0.054 Uiso calc R 1
C C13 0.2671(10) 0.0558(7) 0.4587(10) 0.042(2) Uani d . 1
C C14 0.2707(11) 0.0662(9) 0.5940(10) 0.050(2) Uani d . 1
H H14A 0.1890 0.1015 0.5829 0.075 Uiso calc R 1
H H14B 0.3548 0.1002 0.6556 0.075 Uiso calc R 1
H H14C 0.2705 0.0035 0.6304 0.075 Uiso calc R 1
C C15 0.4061(10) 0.4159(6) 0.0797(9) 0.0377(19) Uani d . 1
H H15A 0.5042 0.4280 0.1452 0.045 Uiso calc R 1
H H15B 0.3697 0.4722 0.0216 0.045 Uiso calc R 1
C C16 0.3967(9) 0.3279(6) -0.0075(9) 0.0361(18) Uani d . 1
H H16A 0.2988 0.3166 -0.0742 0.043 Uiso calc R 1
H H16B 0.4497 0.3401 -0.0565 0.043 Uiso calc R 1
C C17 0.5776(9) 0.2120(6) 0.1023(9) 0.0345(17) Uani d . 1
H H17 0.6270 0.2464 0.0666 0.041 Uiso calc R 1
C C18 0.6407(10) 0.1292(7) 0.1802(9) 0.0383(19) Uani d . 1
C C19 0.6519(11) -0.0046(7) 0.2894(11) 0.047(2) Uani d . 1
H H19 0.6299 -0.0562 0.3295 0.057 Uiso calc R 1
C C20 0.7748(9) 0.0885(7) 0.2175(9) 0.0371(18) Uani d . 1
C C21 0.8930(11) 0.1212(9) 0.1942(11) 0.050(2) Uani d . 1
H H21A 0.9802 0.1169 0.2780 0.075 Uiso calc R 1
H H21B 0.8772 0.1868 0.1631 0.075 Uiso calc R 1
H H21C 0.8983 0.0812 0.1263 0.075 Uiso calc R 1
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'
Cl Cl 0.1484 0.1585 '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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
N2 Cu N3 75.3(3) y
N2 Cu N5 94.5(3) y
N2 Cu N6 92.6(3) y
N2 Cu N8 98.1(3) y
N2 Cu N9 168.8(3) y
N3 Cu N5 166.7(3) y
N3 Cu N6 91.6(3) y
N3 Cu N8 93.3(3) y
N3 Cu N9 94.3(3) y
N5 Cu N6 80.2(3) y
N5 Cu N8 96.6(3) y
N5 Cu N9 96.3(3) y
N6 Cu N8 169.0(3) y
N6 Cu N9 92.0(3) y
N8 Cu N9 77.9(3) y
O3 Cl1 O1 108.6(6) ?
O3 Cl1 O4 108.3(5) ?
O1 Cl1 O4 109.4(4) ?
O3 Cl1 O2 110.6(6) ?
O1 Cl1 O2 109.2(5) ?
O4 Cl1 O2 110.8(5) ?
O7 Cl2 O5 108.7(7) ?
O7 Cl2 O8 111.4(6) ?
O5 Cl2 O8 106.8(6) ?
O7 Cl2 O6 110.0(6) ?
O5 Cl2 O6 109.4(6) ?
O8 Cl2 O6 110.5(6) ?
C1 N1 C8 118.2(8) ?
C1 N1 C15 116.6(7) ?
C8 N1 C15 116.0(7) ?
C3 N2 C2 119.5(8) ?
C3 N2 Cu 110.7(6) ?
C2 N2 Cu 129.1(6) ?
C5 N3 C4 106.9(8) ?
C5 N3 Cu 135.7(7) ?
C4 N3 Cu 117.3(6) ?
C5 N4 C6 109.6(8) ?
C5 N4 NH4 125.2 ?
C6 N4 NH4 125.2 ?
C10 N5 C9 117.2(8) ?
C10 N5 Cu 114.2(7) ?
C9 N5 Cu 128.2(6) ?
C12 N6 C11 106.0(8) ?
C12 N6 Cu 141.8(7) ?
C11 N6 Cu 112.2(6) ?
C13 N7 C12 111.1(8) ?
C13 N7 NH7 124.5 ?
C12 N7 NH7 124.5 ?
C17 N8 C16 118.2(7) ?
C17 N8 Cu 116.5(6) ?
C16 N8 Cu 125.3(5) ?
C19 N9 C18 104.7(8) ?
C19 N9 Cu 152.9(7) ?
C18 N9 Cu 102.0(6) ?
C19 N10 C20 111.0(8) ?
C19 N10 NH10 124.5 ?
C20 N10 NH10 124.5 ?
N1 C1 C2 110.0(7) ?
N1 C1 H1A 109.7 ?
C2 C1 H1A 109.7 ?
N1 C1 H1B 109.7 ?
C2 C1 H1B 109.7 ?
H1A C1 H1B 108.2 ?
N2 C2 C1 109.8(7) ?
N2 C2 H2A 109.7 ?
C1 C2 H2A 109.7 ?
N2 C2 H2B 109.7 ?
C1 C2 H2B 109.7 ?
H2A C2 H2B 108.2 ?
N2 C3 C4 117.3(9) ?
N2 C3 H3 121.3 ?
C4 C3 H3 121.3 ?
N3 C4 C6 110.4(8) ?
N3 C4 C3 119.3(8) ?
C6 C4 C3 130.3(9) ?
N3 C5 N4 109.6(9) ?
N3 C5 H5 125.2 ?
N4 C5 H5 125.2 ?
C4 C6 N4 103.5(9) ?
C4 C6 C7 134.1(10) ?
N4 C6 C7 122.4(9) ?
C6 C7 H7A 109.5 ?
C6 C7 H7B 109.5 ?
H7A C7 H7B 109.5 ?
C6 C7 H7C 109.5 ?
H7A C7 H7C 109.5 ?
H7B C7 H7C 109.5 ?
N1 C8 C9 111.7(8) ?
N1 C8 H8A 109.3 ?
C9 C8 H8A 109.3 ?
N1 C8 H8B 109.3 ?
C9 C8 H8B 109.3 ?
H8A C8 H8B 107.9 ?
N5 C9 C8 109.6(7) ?
N5 C9 H9A 109.7 ?
C8 C9 H9A 109.7 ?
N5 C9 H9B 109.7 ?
C8 C9 H9B 109.7 ?
H9A C9 H9B 108.2 ?
N5 C10 C11 116.2(9) ?
N5 C10 H10 121.9 ?
C11 C10 H10 121.9 ?
N6 C11 C13 109.8(9) ?
N6 C11 C10 116.9(8) ?
C13 C11 C10 133.2(9) ?
N6 C12 N7 108.9(9) ?
N6 C12 H12 125.6 ?
N7 C12 H12 125.6 ?
N7 C13 C11 104.2(9) ?
N7 C13 C14 125.4(9) ?
C11 C13 C14 130.4(10) ?
C13 C14 H14A 109.5 ?
C13 C14 H14B 109.5 ?
H14A C14 H14B 109.5 ?
C13 C14 H14C 109.5 ?
H14A C14 H14C 109.5 ?
H14B C14 H14C 109.5 ?
N1 C15 C16 110.1(8) ?
N1 C15 H15A 109.6 ?
C16 C15 H15A 109.6 ?
N1 C15 H15B 109.6 ?
C16 C15 H15B 109.6 ?
H15A C15 H15B 108.2 ?
N8 C16 C15 110.6(7) ?
N8 C16 H16A 109.5 ?
C15 C16 H16A 109.5 ?
N8 C16 H16B 109.5 ?
C15 C16 H16B 109.5 ?
H16A C16 H16B 108.1 ?
N8 C17 C18 123.0(8) ?
N8 C17 H17 118.5 ?
C18 C17 H17 118.5 ?
C17 C18 N9 120.0(8) ?
C17 C18 C20 129.4(9) ?
N9 C18 C20 110.5(8) ?
N10 C19 N9 110.3(9) ?
N10 C19 H19 124.8 ?
N9 C19 H19 124.8 ?
N10 C20 C18 103.6(8) ?
N10 C20 C21 124.9(9) ?
C18 C20 C21 131.5(9) ?
C20 C21 H21A 109.5 ?
C20 C21 H21B 109.5 ?
H21A C21 H21B 109.5 ?
C20 C21 H21C 109.5 ?
H21A C21 H21C 109.5 ?
H21B C21 H21C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu N2 2.377(7) y
Cu N3 2.040(7) y
Cu N5 2.062(8) y
Cu N6 2.022(8) y
Cu N8 2.041(7) y
Cu N9 2.426(9) y
Cl1 O3 1.406(12) ?
Cl1 O1 1.430(8) ?
Cl1 O4 1.433(7) ?
Cl1 O2 1.451(8) ?
Cl2 O7 1.409(9) ?
Cl2 O5 1.416(9) ?
Cl2 O8 1.440(9) ?
Cl2 O6 1.465(9) ?
N1 C1 1.434(11) ?
N1 C8 1.452(12) ?
N1 C15 1.459(12) ?
N2 C3 1.269(12) ?
N2 C2 1.469(10) ?
N3 C5 1.318(13) ?
N3 C4 1.368(12) ?
N4 C5 1.337(14) ?
N4 C6 1.388(14) ?
N4 NH4 0.8600 ?
N5 C10 1.287(12) ?
N5 C9 1.463(12) ?
N6 C12 1.313(13) ?
N6 C11 1.366(12) ?
N7 C13 1.309(13) ?
N7 C12 1.359(12) ?
N7 NH7 0.8600 ?
N8 C17 1.302(11) ?
N8 C16 1.455(11) ?
N9 C19 1.361(14) ?
N9 C18 1.407(13) ?
N10 C19 1.353(15) ?
N10 C20 1.373(14) ?
N10 NH10 0.8600 ?
C1 C2 1.528(13) ?
C1 H1A 0.9700 ?
C1 H1B 0.9700 ?
C2 H2A 0.9700 ?
C2 H2B 0.9700 ?
C3 C4 1.459(13) ?
C3 H3 0.9300 ?
C4 C6 1.368(13) ?
C5 H5 0.9300 ?
C6 C7 1.452(15) ?
C7 H7A 0.9600 ?
C7 H7B 0.9600 ?
C7 H7C 0.9600 ?
C8 C9 1.542(13) ?
C8 H8A 0.9700 ?
C8 H8B 0.9700 ?
C9 H9A 0.9700 ?
C9 H9B 0.9700 ?
C10 C11 1.444(13) ?
C10 H10 0.9300 ?
C11 C13 1.390(13) ?
C12 H12 0.9300 ?
C13 C14 1.493(14) ?
C14 H14A 0.9600 ?
C14 H14B 0.9600 ?
C14 H14C 0.9600 ?
C15 C16 1.534(13) ?
C15 H15A 0.9700 ?
C15 H15B 0.9700 ?
C16 H16A 0.9700 ?
C16 H16B 0.9700 ?
C17 C18 1.406(13) ?
C17 H17 0.9300 ?
C18 C20 1.413(12) ?
C19 H19 0.9300 ?
C20 C21 1.481(14) ?
C21 H21A 0.9600 ?
C21 H21B 0.9600 ?
C21 H21C 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N4 NH4 O6 2_645 0.86 2.09 2.930(13) 165
N7 NH7 O8 2_646 0.86 2.12 2.937(14) 157
N10 NH10 O8 2_746 0.86 2.14 2.993(14) 172
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
N6 Cu N2 C3 -93.6(7)
N3 Cu N2 C3 -2.6(6)
N8 Cu N2 C3 88.7(6)
N5 Cu N2 C3 -173.9(6)
N9 Cu N2 C3 20.5(18)
N6 Cu N2 C2 96.5(7)
N3 Cu N2 C2 -172.6(8)
N8 Cu N2 C2 -81.2(7)
N5 Cu N2 C2 16.1(7)
N9 Cu N2 C2 -149.5(13)
N6 Cu N3 C5 -83.1(10)
N8 Cu N3 C5 87.1(10)
N5 Cu N3 C5 -134.3(13)
N2 Cu N3 C5 -175.4(10)
N9 Cu N3 C5 9.0(10)
N6 Cu N3 C4 93.2(7)
N8 Cu N3 C4 -96.6(6)
N5 Cu N3 C4 42.0(17)
N2 Cu N3 C4 1.0(6)
N9 Cu N3 C4 -174.7(6)
N6 Cu N5 C10 -6.0(6)
N3 Cu N5 C10 46.3(17)
N8 Cu N5 C10 -175.4(6)
N2 Cu N5 C10 85.9(6)
N9 Cu N5 C10 -96.9(7)
N6 Cu N5 C9 -178.7(8)
N3 Cu N5 C9 -126.4(13)
N8 Cu N5 C9 11.9(7)
N2 Cu N5 C9 -86.8(7)
N9 Cu N5 C9 90.4(7)
N3 Cu N6 C12 13.2(12)
N8 Cu N6 C12 -103.4(19)
N5 Cu N6 C12 -177.3(12)
N2 Cu N6 C12 88.6(12)
N9 Cu N6 C12 -81.2(12)
N3 Cu N6 C11 -164.7(6)
N8 Cu N6 C11 78.6(19)
N5 Cu N6 C11 4.8(6)
N2 Cu N6 C11 -89.4(6)
N9 Cu N6 C11 100.9(6)
N6 Cu N8 C17 19(2)
N3 Cu N8 C17 -97.6(6)
N5 Cu N8 C17 91.2(6)
N2 Cu N8 C17 -173.3(6)
N9 Cu N8 C17 -3.9(6)
N6 Cu N8 C16 -162.2(15)
N3 Cu N8 C16 81.4(7)
N5 Cu N8 C16 -89.8(7)
N2 Cu N8 C16 5.7(7)
N9 Cu N8 C16 175.1(7)
N6 Cu N9 C19 0.8(16)
N3 Cu N9 C19 -91.0(16)
N8 Cu N9 C19 176.6(16)
N5 Cu N9 C19 81.1(16)
N2 Cu N9 C19 -113.3(18)
N6 Cu N9 C18 -169.8(6)
N3 Cu N9 C18 98.5(6)
N8 Cu N9 C18 6.0(6)
N5 Cu N9 C18 -89.4(6)
N2 Cu N9 C18 76.2(16)
C8 N1 C1 C2 -81.2(9)
C15 N1 C1 C2 133.3(8)
C3 N2 C2 C1 -104.3(9)
Cu N2 C2 C1 64.9(10)
N1 C1 C2 N2 -52.9(10)
C2 N2 C3 C4 174.8(8)
Cu N2 C3 C4 3.7(10)
C5 N3 C4 C6 -1.8(10)
Cu N3 C4 C6 -179.1(6)
C5 N3 C4 C3 178.0(8)
Cu N3 C4 C3 0.6(10)
N2 C3 C4 N3 -3.2(12)
N2 C3 C4 C6 176.4(9)
C4 N3 C5 N4 1.5(11)
Cu N3 C5 N4 178.1(6)
C6 N4 C5 N3 -0.8(11)
N3 C4 C6 N4 1.3(10)
C3 C4 C6 N4 -178.4(9)
N3 C4 C6 C7 -177.9(10)
C3 C4 C6 C7 2.4(18)
C5 N4 C6 C4 -0.3(10)
C5 N4 C6 C7 179.0(9)
C1 N1 C8 C9 138.9(8)
C15 N1 C8 C9 -75.5(9)
C10 N5 C9 C8 -99.4(9)
Cu N5 C9 C8 73.2(9)
N1 C8 C9 N5 -55.6(10)
C9 N5 C10 C11 179.5(7)
Cu N5 C10 C11 5.9(10)
C12 N6 C11 C13 -0.6(10)
Cu N6 C11 C13 178.1(6)
C12 N6 C11 C10 178.0(8)
Cu N6 C11 C10 -3.3(9)
N5 C10 C11 N6 -1.8(11)
N5 C10 C11 C13 176.5(9)
C11 N6 C12 N7 1.5(11)
Cu N6 C12 N7 -176.6(8)
C13 N7 C12 N6 -1.9(12)
C12 N7 C13 C11 1.4(10)
C12 N7 C13 C14 -179.9(9)
N6 C11 C13 N7 -0.5(10)
C10 C11 C13 N7 -178.8(9)
N6 C11 C13 C14 -179.1(9)
C10 C11 C13 C14 2.6(17)
C1 N1 C15 C16 -85.4(9)
C8 N1 C15 C16 128.4(8)
C17 N8 C16 C15 -104.7(9)
Cu N8 C16 C15 76.4(8)
N1 C15 C16 N8 -60.3(9)
C16 N8 C17 C18 -178.2(8)
Cu N8 C17 C18 0.8(11)
N8 C17 C18 N9 5.9(14)
N8 C17 C18 C20 -178.5(9)
C19 N9 C18 C17 176.7(8)
Cu N9 C18 C17 -7.8(10)
C19 N9 C18 C20 0.3(11)
Cu N9 C18 C20 175.9(6)
C20 N10 C19 N9 -1.4(12)
C18 N9 C19 N10 0.6(11)
Cu N9 C19 N10 -169.8(11)
C19 N10 C20 C18 1.6(10)
C19 N10 C20 C21 -179.1(9)
C17 C18 C20 N10 -177.0(9)
N9 C18 C20 N10 -1.1(10)
C17 C18 C20 C21 3.7(17)
N9 C18 C20 C21 179.6(10)
