#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:21:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179748 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/44/7004411.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_7004411
loop_
_publ_author_name
'Gu, Zhi-Guo'
'Xu, Yi-Fan'
'Yin, Xiu-Ju'
'Zhou, Xin-Hui'
'Zuo, Jing-Lin'
'You, Xiao-Zeng'
_publ_section_title
;
 Cluster-based copper(ii) coordination polymers with azido bridges and
 chiral magnets
;
_journal_issue                   41
_journal_name_full               'Dalton Transactions'
_journal_page_first              5593
_journal_page_last               5602
_journal_paper_doi               10.1039/b806619a
_journal_year                    2008
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C16 H34 Cu3 N20'
_chemical_formula_sum            'C16 H34 Cu3 N20'
_chemical_formula_weight         697.25
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.687(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.722(3)
_cell_length_b                   6.0487(13)
_cell_length_c                   16.910(4)
_cell_measurement_reflns_used    2564
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.62
_cell_measurement_theta_min      2.41
_cell_volume                     1390.9(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0853
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7301
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    2.320
_exptl_absorpt_correction_T_max  0.57
_exptl_absorpt_correction_T_min  0.50
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             714
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         4822
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0575
_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)+(0.05P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1067
_reflns_number_gt                3533
_reflns_number_total             4822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806619a.txt
_cod_data_source_block           complex1
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P2(1) '
_cod_database_code               7004411
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
C1 C 1.2182(5) 0.2516(13) 0.2060(4) 0.0480(17) Uani 1 1 d . . .
H1A H 1.2643 0.1550 0.1853 0.072 Uiso 1 1 calc R . .
H1B H 1.2382 0.4024 0.2005 0.072 Uiso 1 1 calc R . .
H1C H 1.1540 0.2302 0.1767 0.072 Uiso 1 1 calc R . .
C2 C 1.2154(5) 0.2004(11) 0.2930(4) 0.0428(16) Uani 1 1 d . . .
H2 H 1.2017 0.3401 0.3187 0.051 Uiso 1 1 calc R . .
C3 C 1.3113(4) 0.1083(15) 0.3393(5) 0.056(2) Uani 1 1 d . . .
H3 H 1.2940 0.0626 0.3913 0.068 Uiso 1 1 calc R . .
C4 C 1.3879(5) 0.2798(14) 0.3574(4) 0.061(2) Uani 1 1 d . . .
H4A H 1.3623 0.4034 0.3849 0.073 Uiso 1 1 calc R . .
H4B H 1.4091 0.3339 0.3085 0.073 Uiso 1 1 calc R . .
C5 C 1.4733(5) 0.1739(13) 0.4099(5) 0.055(2) Uani 1 1 d . . .
H5A H 1.5246 0.2830 0.4237 0.065 Uiso 1 1 calc R . .
H5B H 1.4513 0.1229 0.4590 0.065 Uiso 1 1 calc R . .
C6 C 1.5136(5) -0.0152(13) 0.3689(4) 0.0510(19) Uani 1 1 d . . .
H6A H 1.5704 -0.0760 0.4021 0.061 Uiso 1 1 calc R . .
H6B H 1.5341 0.0334 0.3190 0.061 Uiso 1 1 calc R . .
C7 C 1.4339(5) -0.1903(13) 0.3529(4) 0.0487(17) Uani 1 1 d . . .
H7A H 1.4599 -0.3162 0.3269 0.058 Uiso 1 1 calc R . .
H7B H 1.4153 -0.2404 0.4033 0.058 Uiso 1 1 calc R . .
C8 C 1.3438(5) -0.1037(12) 0.3008(4) 0.053(2) Uani 1 1 d . . .
H8A H 1.2915 -0.2128 0.2968 0.063 Uiso 1 1 calc R . .
H8B H 1.3592 -0.0728 0.2476 0.063 Uiso 1 1 calc R . .
C9 C 0.7682(5) 0.2741(15) 0.3096(4) 0.055(2) Uani 1 1 d . . .
H9A H 0.7499 0.1210 0.3059 0.083 Uiso 1 1 calc R . .
H9B H 0.7154 0.3589 0.3262 0.083 Uiso 1 1 calc R . .
H9C H 0.8260 0.2912 0.3479 0.083 Uiso 1 1 calc R . .
C10 C 0.7892(5) 0.3550(14) 0.2291(4) 0.0521(18) Uani 1 1 d . . .
H10 H 0.8224 0.4985 0.2368 0.062 Uiso 1 1 calc R . .
C11 C 0.6977(5) 0.3853(11) 0.1676(4) 0.0459(18) Uani 1 1 d . . .
H11 H 0.7200 0.4093 0.1155 0.055 Uiso 1 1 calc R . .
C12 C 0.6292(5) 0.1878(12) 0.1597(5) 0.052(2) Uani 1 1 d . . .
H12A H 0.6654 0.0563 0.1484 0.063 Uiso 1 1 calc R . .
H12B H 0.6030 0.1646 0.2096 0.063 Uiso 1 1 calc R . .
C13 C 0.5459(6) 0.2263(16) 0.0934(5) 0.067(2) Uani 1 1 d . . .
H13A H 0.5032 0.0980 0.0875 0.080 Uiso 1 1 calc R . .
H13B H 0.5719 0.2492 0.0434 0.080 Uiso 1 1 calc R . .
C14 C 0.4882(6) 0.4280(14) 0.1130(5) 0.061(2) Uani 1 1 d . . .
H14A H 0.4342 0.4529 0.0707 0.073 Uiso 1 1 calc R . .
H14B H 0.4608 0.4027 0.1622 0.073 Uiso 1 1 calc R . .
C15 C 0.5529(5) 0.6265(17) 0.1218(5) 0.063(2) Uani 1 1 d . . .
H15A H 0.5156 0.7533 0.1361 0.076 Uiso 1 1 calc R . .
H15B H 0.5763 0.6583 0.0714 0.076 Uiso 1 1 calc R . .
C16 C 0.6410(5) 0.5873(13) 0.1865(5) 0.058(2) Uani 1 1 d . . .
H16A H 0.6839 0.7153 0.1900 0.070 Uiso 1 1 calc R . .
H16B H 0.6178 0.5682 0.2377 0.070 Uiso 1 1 calc R . .
Cu1 Cu 0.99545(6) 0.13686(18) 0.25269(7) 0.0426(2) Uani 1 1 d . . .
Cu2 Cu 0.99920(8) 0.31196(14) 0.48910(6) 0.0505(3) Uani 1 1 d . . .
Cu3 Cu 1.00030(6) 0.00811(11) 0.00622(6) 0.0430(2) Uani 1 1 d . . .
N1 N 1.1317(3) 0.0525(9) 0.3005(3) 0.0403(13) Uani 1 1 d . . .
H1D H 1.1304 0.0298 0.3529 0.048 Uiso 1 1 calc R . .
H1E H 1.1453 -0.0787 0.2793 0.048 Uiso 1 1 calc R . .
N2 N 0.8586(4) 0.1963(10) 0.1969(4) 0.0489(16) Uani 1 1 d . . .
H2A H 0.8653 0.2426 0.1473 0.059 Uiso 1 1 calc R . .
H2B H 0.8277 0.0650 0.1915 0.059 Uiso 1 1 calc R . .
N3 N 0.9903(5) 0.3557(13) 0.3420(4) 0.0567(19) Uani 1 1 d . . .
N4 N 0.9808(4) 0.5505(12) 0.3331(3) 0.0443(14) Uani 1 1 d . . .
N5 N 0.9701(4) 0.7321(10) 0.3305(3) 0.0457(14) Uani 1 1 d . . .
N6 N 1.0085(4) -0.0584(12) 0.1553(4) 0.0522(16) Uani 1 1 d . . .
N7 N 0.9683(5) -0.2237(12) 0.1583(4) 0.0551(16) Uani 1 1 d . . .
N8 N 0.9271(4) -0.3946(10) 0.1574(3) 0.0466(13) Uani 1 1 d . . .
N9 N 1.0960(4) 0.0561(11) 0.4959(4) 0.0447(15) Uani 1 1 d . . .
N10 N 1.1628(4) 0.0560(11) 0.5527(4) 0.0510(17) Uani 1 1 d . . .
N11 N 1.2234(4) 0.0473(12) 0.6019(4) 0.0539(16) Uani 1 1 d . . .
N12 N 0.9092(4) 0.0657(11) 0.4902(3) 0.0420(15) Uani 1 1 d . . .
N13 N 0.8286(4) 0.0844(10) 0.5139(3) 0.0473(14) Uani 1 1 d . . .
N14 N 0.7543(4) 0.0998(12) 0.5338(4) 0.0579(16) Uani 1 1 d . . .
N15 N 1.0945(4) 0.2609(11) 0.0140(4) 0.0428(15) Uani 1 1 d . . .
N16 N 1.1545(4) 0.2911(10) -0.0323(3) 0.0448(15) Uani 1 1 d . . .
N17 N 1.2067(5) 0.3120(13) -0.0715(4) 0.0604(16) Uani 1 1 d . . .
N18 N 0.9050(5) 0.2582(12) 0.0011(4) 0.0531(17) Uani 1 1 d . . .
N19 N 0.8240(4) 0.2530(13) -0.0412(4) 0.0506(17) Uani 1 1 d . . .
N20 N 0.7519(4) 0.2434(10) -0.0771(4) 0.0502(15) Uani 1 1 d . . .
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'
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
_geom_angle_publ_flag
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C1 109.3(5) . . ?
N1 C2 C3 111.0(6) . . ?
C1 C2 C3 116.0(6) . . ?
N1 C2 H2 106.7 . . ?
C1 C2 H2 106.7 . . ?
C3 C2 H2 106.7 . . ?
C4 C3 C8 115.9(6) . . ?
C4 C3 C2 112.7(7) . . ?
C8 C3 C2 111.3(6) . . ?
C4 C3 H3 105.3 . . ?
C8 C3 H3 105.3 . . ?
C2 C3 H3 105.3 . . ?
C3 C4 C5 107.3(7) . . ?
C3 C4 H4A 110.3 . . ?
C5 C4 H4A 110.3 . . ?
C3 C4 H4B 110.3 . . ?
C5 C4 H4B 110.3 . . ?
H4A C4 H4B 108.5 . . ?
C6 C5 C4 111.1(6) . . ?
C6 C5 H5A 109.4 . . ?
C4 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C5 C6 C7 108.4(6) . . ?
C5 C6 H6A 110.0 . . ?
C7 C6 H6A 110.0 . . ?
C5 C6 H6B 110.0 . . ?
C7 C6 H6B 110.0 . . ?
H6A C6 H6B 108.4 . . ?
C8 C7 C6 112.0(6) . . ?
C8 C7 H7A 109.2 . . ?
C6 C7 H7A 109.2 . . ?
C8 C7 H7B 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 C3 107.7(6) . . ?
C7 C8 H8A 110.2 . . ?
C3 C8 H8A 110.2 . . ?
C7 C8 H8B 110.2 . . ?
C3 C8 H8B 110.2 . . ?
H8A C8 H8B 108.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C9 109.0(7) . . ?
N2 C10 C11 109.4(6) . . ?
C9 C10 C11 114.4(6) . . ?
N2 C10 H10 107.9 . . ?
C9 C10 H10 107.9 . . ?
C11 C10 H10 107.9 . . ?
C16 C11 C12 109.0(6) . . ?
C16 C11 C10 110.7(6) . . ?
C12 C11 C10 114.1(6) . . ?
C16 C11 H11 107.6 . . ?
C12 C11 H11 107.6 . . ?
C10 C11 H11 107.6 . . ?
C13 C12 C11 110.1(7) . . ?
C13 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C13 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 C14 109.1(7) . . ?
C12 C13 H13A 109.9 . . ?
C14 C13 H13A 109.9 . . ?
C12 C13 H13B 109.9 . . ?
C14 C13 H13B 109.9 . . ?
H13A C13 H13B 108.3 . . ?
C15 C14 C13 110.4(7) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 110.4(7) . . ?
C14 C15 H15A 109.6 . . ?
C16 C15 H15A 109.6 . . ?
C14 C15 H15B 109.6 . . ?
C16 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C11 C16 C15 110.7(6) . . ?
C11 C16 H16A 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
N1 Cu1 N3 89.4(3) . . ?
N1 Cu1 N2 174.3(3) . . ?
N3 Cu1 N2 96.3(3) . . ?
N1 Cu1 N6 90.0(2) . . ?
N3 Cu1 N6 173.5(3) . . ?
N2 Cu1 N6 84.4(2) . . ?
N12 Cu2 N12 169.29(7) . 2_756 ?
N12 Cu2 N9 97.9(2) . 2_756 ?
N12 Cu2 N9 79.4(2) 2_756 2_756 ?
N12 Cu2 N9 80.0(2) . . ?
N12 Cu2 N9 100.7(2) 2_756 . ?
N9 Cu2 N9 169.43(8) 2_756 . ?
N12 Cu2 Cu2 139.16(18) . 2_756 ?
N12 Cu2 Cu2 38.46(17) 2_756 2_756 ?
N9 Cu2 Cu2 41.38(18) 2_756 2_756 ?
N9 Cu2 Cu2 139.02(18) . 2_756 ?
N12 Cu2 Cu2 39.60(18) . 2_746 ?
N12 Cu2 Cu2 138.78(19) 2_756 2_746 ?
N9 Cu2 Cu2 135.09(19) 2_756 2_746 ?
N9 Cu2 Cu2 40.83(16) . 2_746 ?
Cu2 Cu2 Cu2 166.19(8) 2_756 2_746 ?
N15 Cu3 N18 98.8(2) 2_745 . ?
N15 Cu3 N15 173.90(7) 2_745 . ?
N18 Cu3 N15 80.6(3) . . ?
N15 Cu3 N18 80.6(3) 2_745 2_745 ?
N18 Cu3 N18 174.02(6) . 2_745 ?
N15 Cu3 N18 99.3(2) . 2_745 ?
N15 Cu3 Cu3 138.17(18) 2_745 2_755 ?
N18 Cu3 Cu3 40.9(2) . 2_755 ?
N15 Cu3 Cu3 40.17(16) . 2_755 ?
N18 Cu3 Cu3 137.9(2) 2_745 2_755 ?
N15 Cu3 Cu3 40.51(17) 2_745 2_745 ?
N18 Cu3 Cu3 139.3(2) . 2_745 ?
N15 Cu3 Cu3 139.88(17) . 2_745 ?
N18 Cu3 Cu3 40.6(2) 2_745 2_745 ?
Cu3 Cu3 Cu3 172.08(7) 2_755 2_745 ?
C2 N1 Cu1 120.5(4) . . ?
C2 N1 H1D 107.2 . . ?
Cu1 N1 H1D 107.2 . . ?
C2 N1 H1E 107.2 . . ?
Cu1 N1 H1E 107.2 . . ?
H1D N1 H1E 106.8 . . ?
C10 N2 Cu1 122.6(4) . . ?
C10 N2 H2A 106.7 . . ?
Cu1 N2 H2A 106.7 . . ?
C10 N2 H2B 106.7 . . ?
Cu1 N2 H2B 106.7 . . ?
H2A N2 H2B 106.6 . . ?
N4 N3 Cu1 124.6(6) . . ?
N5 N4 N3 174.7(8) . . ?
N7 N6 Cu1 111.9(6) . . ?
N6 N7 N8 176.7(8) . . ?
N10 N9 Cu2 109.2(5) . 2_746 ?
N10 N9 Cu2 117.1(5) . . ?
Cu2 N9 Cu2 97.8(2) 2_746 . ?
N11 N10 N9 176.9(8) . . ?
N13 N12 Cu2 122.3(6) . . ?
N13 N12 Cu2 126.1(5) . 2_746 ?
Cu2 N12 Cu2 101.9(2) . 2_746 ?
N14 N13 N12 178.3(7) . . ?
N16 N15 Cu3 105.0(5) . 2_755 ?
N16 N15 Cu3 123.9(6) . . ?
Cu3 N15 Cu3 99.3(2) 2_755 . ?
N17 N16 N15 178.2(8) . . ?
N19 N18 Cu3 122.6(6) . . ?
N19 N18 Cu3 121.5(6) . 2_755 ?
Cu3 N18 Cu3 98.5(3) . 2_755 ?
N20 N19 N18 177.9(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.509(9) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 N1 1.475(8) . ?
C2 C3 1.543(9) . ?
C2 H2 0.9800 . ?
C3 C4 1.480(11) . ?
C3 C8 1.531(11) . ?
C3 H3 0.9800 . ?
C4 C5 1.514(9) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.483(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.520(10) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.513(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.510(10) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 N2 1.505(10) . ?
C10 C11 1.531(9) . ?
C10 H10 0.9800 . ?
C11 C16 1.506(10) . ?
C11 C12 1.515(10) . ?
C11 H11 0.9800 . ?
C12 C13 1.509(10) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.515(12) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.490(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.536(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
Cu1 N1 2.001(5) . ?
Cu1 N3 2.016(7) . ?
Cu1 N2 2.017(5) . ?
Cu1 N6 2.053(7) . ?
Cu2 N12 1.937(6) . ?
Cu2 N12 1.985(6) 2_756 ?
Cu2 N9 2.011(6) 2_756 ?
Cu2 N9 2.033(6) . ?
Cu2 Cu2 3.0465(7) 2_756 ?
Cu2 Cu2 3.0465(7) 2_746 ?
Cu3 N15 1.982(6) 2_745 ?
Cu3 N18 1.994(7) . ?
Cu3 N15 1.995(6) . ?
Cu3 N18 2.008(7) 2_745 ?
Cu3 Cu3 3.0316(7) 2_755 ?
Cu3 Cu3 3.0316(7) 2_745 ?
N1 H1D 0.9000 . ?
N1 H1E 0.9000 . ?
N2 H2A 0.9000 . ?
N2 H2B 0.9000 . ?
N3 N4 1.193(9) . ?
N4 N5 1.108(8) . ?
N6 N7 1.146(9) . ?
N7 N8 1.178(9) . ?
N9 N10 1.237(8) . ?
N9 Cu2 2.011(6) 2_746 ?
N10 N11 1.096(8) . ?
N12 N13 1.231(7) . ?
N12 Cu2 1.985(6) 2_746 ?
N13 N14 1.119(7) . ?
N15 N16 1.223(7) . ?
N15 Cu3 1.982(6) 2_755 ?
N16 N17 1.047(7) . ?
N18 N19 1.238(8) . ?
N18 Cu3 2.008(7) 2_755 ?
N19 N20 1.091(7) . ?
