#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/58/2015835.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_2015835
loop_
_publ_author_name
'Moncol, Jan'
'Maroszova, Jaroslava'
'Melník, Milan'
'Koman, Marian'
_publ_section_title
catena-Poly[[tetrakis(μ-propionato-κ²O:O')dicopper(II)]-μ-3-pyridylmethanol-κ²N:O-[bis(propionato-κO)bis(3-pyridylmethanol-κN)copper(II)]-μ-3-pyridylmethanol-κO:N]
_journal_coeditor_code           BG3026
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m114
_journal_page_last               m116
_journal_paper_doi               10.1107/S0108270107004386
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu3 (C6 H7 N O)4 (C3 H5 O2)6]'
_chemical_formula_moiety         'C42 H58 Cu3 N4 O16'
_chemical_formula_sum            'C42 H58 Cu3 N4 O16'
_chemical_formula_weight         1065.54
_chemical_name_systematic
;
catena-Poly[[tetrakis(μ-propionato-κ²O:O')dicopper(II)]-μ-3-
pyridylmethanol-κ²N:O-[bis(propionato-\kO)bis(μ-3-pyridylmethanol-
κ²N,O)copper(II)]-μ-3-pyridylmethanol-\kO:N]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                104.27(3)
_cell_angle_beta                 103.99(3)
_cell_angle_gamma                91.10(3)
_cell_formula_units_Z            1
_cell_length_a                   8.194(2)
_cell_length_b                   9.959(2)
_cell_length_c                   15.358(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.62
_cell_measurement_theta_min      5.21
_cell_volume                     1174.4(5)
_computing_cell_refinement       'P2₁ Software'
_computing_data_collection       'P2₁ Software (Syntex, 1973)'
_computing_data_reduction        'XP21 (Pavelčík, 1993)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and XP in SHELXTL (Sheldrick, 1998)
;
_computing_publication_material  'enCIFer (Allen et al.,  2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Syntex P2₁'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5808
_diffrn_reflns_theta_full        27.60
_diffrn_reflns_theta_max         27.60
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        15
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.418
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al.,  1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_meas      1.50
_exptl_crystal_density_method    flotation
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             553
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.699
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         5428
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0534
_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)+(0.1030P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1531
_reflns_number_gt                3645
_reflns_number_total             5428
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bg3026.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1174.4(4)
_cod_database_code               2015835
_cod_database_fobs_code          2015835
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 Cu1 0.0000 0.0000 0.0000 0.04309(17) Uani d S 1
Cu Cu2 -0.08880(5) 0.48991(4) 0.41438(3) 0.04171(15) Uani d . 1
N N1 0.1691(4) 0.1037(3) 0.11617(19) 0.0426(7) Uani d . 1
N N2 -0.2456(4) 0.4675(3) 0.27445(19) 0.0431(6) Uani d . 1
O O1 -0.0104(3) -0.1549(3) 0.05617(18) 0.0509(6) Uani d . 1
O O2 -0.2367(4) -0.1215(4) 0.1079(3) 0.0839(10) Uani d . 1
O O3 0.5601(4) -0.1069(3) 0.2295(2) 0.0713(8) Uani d . 1
H H3O 0.6143 -0.1131 0.1904 0.107 Uiso calc R 1
O O4 -0.0106(4) 0.3028(3) 0.38880(19) 0.0616(7) Uani d . 1
O O5 0.1414(4) 0.3211(3) 0.5329(2) 0.0612(7) Uani d . 1
O O6 -0.2710(3) 0.4164(3) 0.45697(19) 0.0567(7) Uani d . 1
O O7 -0.1223(3) 0.4353(3) 0.60164(19) 0.0603(7) Uani d . 1
O O8 -0.2244(3) 0.1192(3) 0.06742(19) 0.0589(7) Uani d . 1
H H8O -0.2520 0.0424 0.0724 0.088 Uiso d R 1
C C1 -0.1125(5) -0.1846(4) 0.0973(3) 0.0512(9) Uani d . 1
C C2 -0.0819(7) -0.3103(5) 0.1365(4) 0.0822(15) Uani d . 1
H H2A -0.0941 -0.2853 0.1996 0.099 Uiso calc R 1
H H2B -0.1695 -0.3834 0.1005 0.099 Uiso calc R 1
C C3 0.0782(10) -0.3655(8) 0.1376(7) 0.140(3) Uani d . 1
H H3A 0.0942 -0.3881 0.0759 0.210 Uiso calc R 1
H H3B 0.0817 -0.4479 0.1597 0.210 Uiso calc R 1
H H3C 0.1663 -0.2976 0.1781 0.210 Uiso calc R 1
C C4 0.2984(4) 0.0411(4) 0.1572(2) 0.0436(8) Uani d . 1
H H4 0.3061 -0.0525 0.1310 0.052 Uiso calc R 1
C C5 0.4184(4) 0.1070(4) 0.2349(2) 0.0449(8) Uani d . 1
C C6 0.4030(5) 0.2451(4) 0.2750(2) 0.0493(9) Uani d . 1
H H6 0.4825 0.2941 0.3283 0.059 Uiso calc R 1
C C7 0.2698(5) 0.3081(4) 0.2353(3) 0.0529(9) Uani d . 1
H H7 0.2561 0.4001 0.2625 0.063 Uiso calc R 1
C C8 0.1561(5) 0.2367(4) 0.1556(3) 0.0479(8) Uani d . 1
H H8 0.0677 0.2821 0.1282 0.057 Uiso calc R 1
C C9 0.5635(5) 0.0319(5) 0.2768(3) 0.0679(12) Uani d . 1
H H9A 0.6687 0.0798 0.2783 0.081 Uiso calc R 1
H H9B 0.5619 0.0368 0.3405 0.081 Uiso calc R 1
C C10 0.0850(5) 0.2571(4) 0.4502(3) 0.0519(9) Uani d . 1
C C11 0.1405(7) 0.1136(5) 0.4207(4) 0.0819(15) Uani d . 1
H H11A 0.2568 0.1236 0.4175 0.098 Uiso calc R 1
H H11B 0.1396 0.0678 0.4695 0.098 Uiso calc R 1
C C12 0.0474(9) 0.0230(6) 0.3351(5) 0.136(3) Uani d . 1
H H12A -0.0473 -0.0238 0.3451 0.204 Uiso calc R 1
H H12B 0.1189 -0.0444 0.3116 0.204 Uiso calc R 1
H H12C 0.0080 0.0761 0.2909 0.204 Uiso calc R 1
C C13 -0.2545(5) 0.4028(4) 0.5368(3) 0.0501(9) Uani d . 1
C C14 -0.4064(5) 0.3461(5) 0.5597(4) 0.0683(12) Uani d . 1
H H14A -0.4350 0.4167 0.6085 0.082 Uiso calc R 1
H H14B -0.5009 0.3298 0.5052 0.082 Uiso calc R 1
C C15 -0.3874(9) 0.2213(7) 0.5888(7) 0.138(3) Uani d . 1
H H15A -0.3582 0.1504 0.5415 0.206 Uiso calc R 1
H H15B -0.4915 0.1917 0.5994 0.206 Uiso calc R 1
H H15C -0.2996 0.2375 0.6453 0.206 Uiso calc R 1
C C16 -0.2530(4) 0.3513(4) 0.2078(2) 0.0437(8) Uani d . 1
H H16 -0.1794 0.2846 0.2204 0.052 Uiso calc R 1
C C17 -0.3636(4) 0.3245(4) 0.1213(2) 0.0441(8) Uani d . 1
C C18 -0.4732(5) 0.4234(4) 0.1039(3) 0.0509(9) Uani d . 1
H H18 -0.5514 0.4087 0.0466 0.061 Uiso calc R 1
C C19 -0.4657(5) 0.5434(4) 0.1717(3) 0.0546(9) Uani d . 1
H H19 -0.5381 0.6117 0.1611 0.066 Uiso calc R 1
C C20 -0.3514(5) 0.5615(4) 0.2547(3) 0.0473(8) Uani d . 1
H H20 -0.3468 0.6440 0.3001 0.057 Uiso calc R 1
C C21 -0.3676(6) 0.1906(4) 0.0478(3) 0.0643(11) Uani d . 1
H H21A -0.4666 0.1310 0.0424 0.077 Uiso calc R 1
H H21B -0.3780 0.2117 -0.0115 0.077 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'
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Cu1 O1 . 2 180.00(12)
O1 Cu1 N1 . 2 91.13(11)
O1 Cu1 N1 2 2 88.87(11)
O1 Cu1 N1 . . 88.87(11)
O1 Cu1 N1 2 . 91.13(11)
N1 Cu1 N1 2 . 180.00(13)
O1 Cu1 O8 . . 93.37(11)
O1 Cu1 O8 2 . 86.63(11)
N1 Cu1 O8 2 . 92.18(11)
N1 Cu1 O8 . . 87.82(11)
O1 Cu1 O8 . 2_565 161.26(8)
O1 Cu1 O8 2 2_565 18.74(8)
N1 Cu1 O8 2 2_565 107.04(9)
N1 Cu1 O8 . 2_565 72.96(9)
O8 Cu1 O8 . 2_565 81.66(8)
O5 Cu2 O4 2_566 . 167.87(12)
O5 Cu2 O7 2_566 2_566 89.98(14)
O4 Cu2 O7 . 2_566 89.51(13)
O5 Cu2 O6 2_566 . 89.31(13)
O4 Cu2 O6 . . 88.64(13)
O7 Cu2 O6 2_566 . 167.83(11)
O5 Cu2 N2 2_566 . 96.61(12)
O4 Cu2 N2 . . 95.44(11)
O7 Cu2 N2 2_566 . 98.49(11)
O6 Cu2 N2 . . 93.67(11)
O5 Cu2 Cu2 2_566 2_566 83.81(9)
O4 Cu2 Cu2 . 2_566 84.09(9)
O7 Cu2 Cu2 2_566 2_566 84.36(9)
O6 Cu2 Cu2 . 2_566 83.48(8)
N2 Cu2 Cu2 . 2_566 177.12(8)
C8 N1 C4 . . 117.9(3)
C8 N1 Cu1 . . 121.0(2)
C4 N1 Cu1 . . 121.1(2)
C20 N2 C16 . . 117.2(3)
C20 N2 Cu2 . . 121.5(2)
C16 N2 Cu2 . . 120.9(2)
C1 O1 Cu1 . . 129.6(3)
C9 O3 H3O . . 109.5
C10 O4 Cu2 . . 122.7(2)
C13 O6 Cu2 . . 124.0(2)
C21 O8 Cu1 . . 143.7(3)
C21 O8 H8O . . 109.5
Cu1 O8 H8O . . 85.2
O2 C1 O1 . . 125.2(4)
O2 C1 C2 . . 118.0(4)
O1 C1 C2 . . 116.8(4)
C3 C2 C1 . . 116.2(5)
C3 C2 H2A . . 108.2
C1 C2 H2A . . 108.2
C3 C2 H2B . . 108.2
C1 C2 H2B . . 108.2
H2A C2 H2B . . 107.4
C2 C3 H3A . . 109.5
C2 C3 H3B . . 109.5
H3A C3 H3B . . 109.5
C2 C3 H3C . . 109.5
H3A C3 H3C . . 109.5
H3B C3 H3C . . 109.5
N1 C4 C5 . . 123.6(3)
N1 C4 H4 . . 118.2
C5 C4 H4 . . 118.2
C4 C5 C6 . . 117.8(3)
C4 C5 C9 . . 121.2(3)
C6 C5 C9 . . 121.0(3)
C7 C6 C5 . . 118.9(3)
C7 C6 H6 . . 120.5
C5 C6 H6 . . 120.5
C6 C7 C8 . . 120.2(3)
C6 C7 H7 . . 119.9
C8 C7 H7 . . 119.9
N1 C8 C7 . . 121.5(3)
N1 C8 H8 . . 119.2
C7 C8 H8 . . 119.2
O3 C9 C5 . . 114.2(3)
O3 C9 H9A . . 108.7
C5 C9 H9A . . 108.7
O3 C9 H9B . . 108.7
C5 C9 H9B . . 108.7
H9A C9 H9B . . 107.6
O5 C10 O4 . . 125.8(4)
O5 C10 C11 . . 116.8(4)
O4 C10 C11 . . 117.4(4)
C12 C11 C10 . . 118.5(5)
C12 C11 H11A . . 107.7
C10 C11 H11A . . 107.7
C12 C11 H11B . . 107.7
C10 C11 H11B . . 107.7
H11A C11 H11B . . 107.1
C11 C12 H12A . . 109.5
C11 C12 H12B . . 109.5
H12A C12 H12B . . 109.5
C11 C12 H12C . . 109.5
H12A C12 H12C . . 109.5
H12B C12 H12C . . 109.5
O6 C13 O7 . . 125.5(3)
O6 C13 C14 . . 118.0(4)
O7 C13 C14 . . 116.5(4)
C15 C14 C13 . . 115.7(4)
C15 C14 H14A . . 108.4
C13 C14 H14A . . 108.4
C15 C14 H14B . . 108.4
C13 C14 H14B . . 108.4
H14A C14 H14B . . 107.4
C14 C15 H15A . . 109.5
C14 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
C14 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
N2 C16 C17 . . 123.6(3)
N2 C16 H16 . . 118.2
C17 C16 H16 . . 118.2
C16 C17 C18 . . 117.6(3)
C16 C17 C21 . . 121.7(3)
C18 C17 C21 . . 120.7(3)
C19 C18 C17 . . 119.2(3)
C19 C18 H18 . . 120.4
C17 C18 H18 . . 120.4
C20 C19 C18 . . 119.2(4)
C20 C19 H19 . . 120.4
C18 C19 H19 . . 120.4
N2 C20 C19 . . 123.3(3)
N2 C20 H20 . . 118.3
C19 C20 H20 . . 118.4
O8 C21 C17 . . 113.0(3)
O8 C21 H21A . . 109.0
C17 C21 H21A . . 109.0
O8 C21 H21B . . 109.0
C17 C21 H21B . . 109.0
H21A C21 H21B . . 107.8
C13 O7 Cu2 . 2_566 122.7(3)
C10 O5 Cu2 . 2_566 123.6(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O1 . 1.954(2) y
Cu1 O1 2 1.954(2) ?
Cu1 N1 2 2.003(3) ?
Cu1 N1 . 2.003(3) y
Cu1 O8 . 2.502(3) y
Cu2 O5 2_566 1.958(3) y
Cu2 O4 . 1.960(3) y
Cu2 O7 2_566 1.963(3) y
Cu2 O6 . 1.964(3) y
Cu2 N2 . 2.176(3) y
Cu2 Cu2 2_566 2.6367(12) y
N1 C8 . 1.332(4) ?
N1 C4 . 1.343(5) ?
N2 C20 . 1.328(4) ?
N2 C16 . 1.333(4) ?
O1 C1 . 1.234(5) ?
O2 C1 . 1.229(5) ?
O3 C9 . 1.390(5) ?
O3 H3O . 0.8200 ?
O4 C10 . 1.257(5) ?
O5 Cu2 2_566 1.958(3) ?
O6 C13 . 1.243(5) ?
O7 Cu2 2_566 1.963(3) ?
O8 C21 . 1.393(5) ?
O8 H8O . 0.8200 ?
C1 C2 . 1.518(6) ?
C2 C3 . 1.430(8) ?
C2 H2A . 0.9700 ?
C2 H2B . 0.9700 ?
C3 H3A . 0.9600 ?
C3 H3B . 0.9600 ?
C3 H3C . 0.9600 ?
C4 C5 . 1.358(5) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.383(5) ?
C5 C9 . 1.513(5) ?
C6 C7 . 1.360(5) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.366(5) ?
C7 H7 . 0.9300 ?
C8 H8 . 0.9300 ?
C9 H9A . 0.9700 ?
C9 H9B . 0.9700 ?
C10 O5 . 1.241(5) ?
C10 C11 . 1.503(5) ?
C11 C12 . 1.424(7) ?
C11 H11A . 0.9700 ?
C11 H11B . 0.9700 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 O7 . 1.255(5) ?
C13 C14 . 1.508(5) ?
C14 C15 . 1.420(7) ?
C14 H14A . 0.9700 ?
C14 H14B . 0.9700 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 C17 . 1.375(5) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.377(5) ?
C17 C21 . 1.513(5) ?
C18 C19 . 1.368(6) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.355(5) ?
C19 H19 . 0.9300 ?
C20 H20 . 0.9300 ?
C21 H21A . 0.9700 ?
C21 H21B . 0.9700 ?
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
O3 H3O O2 1_655 0.82 1.95 2.768(5) 174
O8 H8O O2 . 0.82 1.84 2.625(5) 160
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O1 Cu1 N1 C8 . . -134.3(3)
O1 Cu1 N1 C8 2 . 45.7(3)
N1 Cu1 N1 C8 2 . 3E1(9)
O8 Cu1 N1 C8 . . -40.9(3)
O8 Cu1 N1 C8 2_565 . 41.1(3)
O1 Cu1 N1 C4 . . 45.2(3)
O1 Cu1 N1 C4 2 . -134.8(3)
N1 Cu1 N1 C4 2 . -15E1(9)
O8 Cu1 N1 C4 . . 138.6(3)
O8 Cu1 N1 C4 2_565 . -139.4(3)
O5 Cu2 N2 C20 2_566 . -8.4(3)
O4 Cu2 N2 C20 . . 170.3(3)
O7 Cu2 N2 C20 2_566 . -99.4(3)
O6 Cu2 N2 C20 . . 81.3(3)
Cu2 Cu2 N2 C20 2_566 . 89.8(16)
O5 Cu2 N2 C16 2_566 . 179.3(3)
O4 Cu2 N2 C16 . . -2.0(3)
O7 Cu2 N2 C16 2_566 . 88.3(3)
O6 Cu2 N2 C16 . . -91.0(3)
Cu2 Cu2 N2 C16 2_566 . -82.5(16)
O1 Cu1 O1 C1 2 . 2E1(4)
N1 Cu1 O1 C1 2 . -83.2(3)
N1 Cu1 O1 C1 . . 96.8(3)
O8 Cu1 O1 C1 . . 9.1(3)
O8 Cu1 O1 C1 2_565 . 82.9(4)
O5 Cu2 O4 C10 2_566 . -3.9(8)
O7 Cu2 O4 C10 2_566 . 83.7(3)
O6 Cu2 O4 C10 . . -84.3(3)
N2 Cu2 O4 C10 . . -177.8(3)
Cu2 Cu2 O4 C10 2_566 . -0.7(3)
O5 Cu2 O6 C13 2_566 . -83.9(3)
O4 Cu2 O6 C13 . . 84.2(3)
O7 Cu2 O6 C13 2_566 . 2.8(8)
N2 Cu2 O6 C13 . . 179.6(3)
Cu2 Cu2 O6 C13 2_566 . 0.0(3)
O1 Cu1 O8 C21 . . -137.6(4)
O1 Cu1 O8 C21 2 . 42.4(4)
N1 Cu1 O8 C21 2 . -46.4(4)
N1 Cu1 O8 C21 . . 133.6(4)
O8 Cu1 O8 C21 2_565 . 60.5(4)
Cu1 O1 C1 O2 . . 3.1(6)
Cu1 O1 C1 C2 . . -177.7(3)
O2 C1 C2 C3 . . -169.1(6)
O1 C1 C2 C3 . . 11.6(8)
C8 N1 C4 C5 . . -1.9(5)
Cu1 N1 C4 C5 . . 178.6(3)
N1 C4 C5 C6 . . 2.0(6)
N1 C4 C5 C9 . . -178.6(4)
C4 C5 C6 C7 . . 0.0(6)
C9 C5 C6 C7 . . -179.5(4)
C5 C6 C7 C8 . . -1.9(6)
C4 N1 C8 C7 . . -0.1(5)
Cu1 N1 C8 C7 . . 179.4(3)
C6 C7 C8 N1 . . 2.0(6)
C4 C5 C9 O3 . . -0.4(6)
C6 C5 C9 O3 . . 179.0(4)
Cu2 O4 C10 O5 . . 0.2(6)
Cu2 O4 C10 C11 . . -177.9(3)
O5 C10 C11 C12 . . 163.7(6)
O4 C10 C11 C12 . . -18.1(8)
Cu2 O6 C13 O7 . . 1.2(6)
Cu2 O6 C13 C14 . . 179.4(3)
O6 C13 C14 C15 . . 120.5(6)
O7 C13 C14 C15 . . -61.1(7)
C20 N2 C16 C17 . . -0.3(5)
Cu2 N2 C16 C17 . . 172.3(3)
N2 C16 C17 C18 . . -0.7(6)
N2 C16 C17 C21 . . -179.8(4)
C16 C17 C18 C19 . . 1.1(6)
C21 C17 C18 C19 . . -179.8(4)
C17 C18 C19 C20 . . -0.5(6)
C16 N2 C20 C19 . . 1.0(6)
Cu2 N2 C20 C19 . . -171.6(3)
C18 C19 C20 N2 . . -0.6(6)
Cu1 O8 C21 C17 . . -131.5(3)
C16 C17 C21 O8 . . -16.0(6)
C18 C17 C21 O8 . . 164.9(4)
O6 C13 O7 Cu2 . 2_566 -2.0(6)
C14 C13 O7 Cu2 . 2_566 179.7(3)
O4 C10 O5 Cu2 . 2_566 0.8(6)
C11 C10 O5 Cu2 . 2_566 178.9(3)
