#------------------------------------------------------------------------------
#$Date: 2016-02-19 22:18:51 +0000 (Fri, 19 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/27/2012751.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_2012751
loop_
_publ_author_name
'Zavalij, Peter Y.'
'Burton, Benjamin L.'
'Jones Jr, Wayne E.'
_publ_section_title
;
 New structures in the bipyridine--copper(II) nitrate--methanol system:
 [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m330
_journal_page_last               m333
_journal_paper_doi               10.1107/S010827010200690X
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Cu (N O3) (C10 H8 N2)2] (N O3), C H4 O'
_chemical_formula_moiety         'C20 H16 Cu N5 O3 1+, N1 O3 1-, C1 H4 O1'
_chemical_formula_sum            'C21 H20 Cu N6 O7'
_chemical_formula_weight         531.97
_chemical_name_common            I
_chemical_name_systematic
;
bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate
;
_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           'SHELXL-97 and ZCIF by Peter Y. Zavalij'
_cell_angle_alpha                109.492(3)
_cell_angle_beta                 92.902(4)
_cell_angle_gamma                101.347(4)
_cell_formula_units_Z            2
_cell_length_a                   7.6862(6)
_cell_length_b                   11.8902(9)
_cell_length_c                   13.3644(11)
_cell_measurement_reflns_used    6220
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.09
_cell_measurement_theta_min      2.74
_cell_volume                     1119.90(16)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and Materials Studio (Accelrys, 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22064
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        -0.78
_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_T_max  0.7041
_exptl_absorpt_correction_T_min  0.6340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             546
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.756
_refine_diff_density_min         -0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         6676
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0637P)^2^+0.0117P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.1001
_reflns_number_gt                5643
_reflns_number_total             6676
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fr1363.cif
_cod_data_source_block           I
_cod_original_cell_volume        1119.9(2)
_cod_database_code               2012751
_cod_database_fobs_code          2012751
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Cu1 0.23697(2) 0.84996(2) 0.72600(2) 0.01783(7) Uani d . 1 . . Cu
N1 0.20965(17) 0.90586(11) 0.60414(10) 0.0176(2) Uani d . 1 . . N
N2 0.03918(17) 0.70911(11) 0.63335(10) 0.0178(2) Uani d . 1 . . N
C1 0.3068(2) 1.00953(13) 0.59701(13) 0.0204(3) Uani d D 1 . . C
H1 0.383(2) 1.0646(13) 0.6562(11) 0.016(4) Uiso d D 1 . . H
C2 0.2943(2) 1.03614(14) 0.50417(13) 0.0225(3) Uani d D 1 . . C
H2 0.359(2) 1.1072(13) 0.5014(16) 0.023(5) Uiso d D 1 . . H
C3 0.1821(2) 0.95205(15) 0.41525(13) 0.0246(3) Uani d D 1 . . C
H3 0.180(3) 0.9696(18) 0.3529(11) 0.025(5) Uiso d D 1 . . H
C4 0.0809(2) 0.84512(14) 0.42264(12) 0.0223(3) Uani d D 1 . . C
H4 0.004(2) 0.7905(15) 0.3646(12) 0.026(5) Uiso d D 1 . . H
C5 0.0959(2) 0.82492(13) 0.51849(12) 0.0173(3) Uani d . 1 . . C
C6 -0.0085(2) 0.71725(12) 0.53801(12) 0.0174(3) Uani d . 1 . . C
C7 -0.1515(2) 0.63364(14) 0.46644(13) 0.0211(3) Uani d D 1 . . C
H7 -0.186(3) 0.641(2) 0.4030(12) 0.039(6) Uiso d D 1 . . H
C8 -0.2482(2) 0.54013(14) 0.49463(13) 0.0236(3) Uani d D 1 . . C
H8 -0.3473(19) 0.4880(15) 0.4492(13) 0.021(5) Uiso d D 1 . . H
C9 -0.2005(2) 0.53210(14) 0.59280(14) 0.0244(3) Uani d D 1 . . C
H9 -0.267(3) 0.4715(16) 0.6124(17) 0.037(6) Uiso d D 1 . . H
C10 -0.0561(2) 0.61838(14) 0.66021(13) 0.0211(3) Uani d D 1 . . C
H10 -0.018(2) 0.6158(17) 0.7257(11) 0.024(5) Uiso d D 1 . . H
N3 0.20821(17) 1.00164(11) 0.85517(10) 0.0187(2) Uani d . 1 . . N
N4 0.28029(17) 0.79062(11) 0.84546(10) 0.0188(2) Uani d . 1 . . N
C11 0.1674(2) 1.10588(14) 0.85359(13) 0.0219(3) Uani d D 1 . . C
H11 0.153(3) 1.1169(17) 0.7885(11) 0.025(5) Uiso d D 1 . . H
C12 0.1542(2) 1.20003(14) 0.94589(14) 0.0245(3) Uani d D 1 . . C
H12 0.134(3) 1.2717(14) 0.9415(18) 0.037(6) Uiso d D 1 . . H
C13 0.1819(2) 1.18545(15) 1.04342(14) 0.0242(3) Uani d D 1 . . C
H13 0.179(3) 1.2488(14) 1.1031(12) 0.031(5) Uiso d D 1 . . H
C14 0.2227(2) 1.07764(14) 1.04623(12) 0.0216(3) Uani d D 1 . . C
H14 0.234(2) 1.0618(16) 1.1091(10) 0.015(4) Uiso d D 1 . . H
C15 0.23571(19) 0.98758(13) 0.95023(12) 0.0179(3) Uani d . 1 . . C
C16 0.2819(2) 0.87042(13) 0.94511(12) 0.0184(3) Uani d . 1 . . C
C17 0.3268(2) 0.84372(15) 1.03520(13) 0.0223(3) Uani d D 1 . . C
H17 0.331(3) 0.9019(15) 1.1019(11) 0.031(5) Uiso d D 1 . . H
C18 0.3707(2) 0.73237(15) 1.02250(14) 0.0249(3) Uani d D 1 . . C
H18 0.389(3) 0.7073(19) 1.0788(13) 0.036(6) Uiso d D 1 . . H
C19 0.3713(2) 0.65154(15) 0.92011(14) 0.0253(3) Uani d D 1 . . C
H19 0.404(3) 0.5799(15) 0.913(2) 0.048(7) Uiso d D 1 . . H
C20 0.3259(2) 0.68346(14) 0.83389(13) 0.0225(3) Uani d D 1 . . C
H20 0.326(3) 0.6331(15) 0.7651(10) 0.021(5) Uiso d D 1 . . H
N5 0.58575(18) 0.83052(11) 0.68538(10) 0.0197(3) Uani d . 1 . . N
O1 0.52226(15) 0.91958(10) 0.74332(9) 0.0207(2) Uani d . 1 . . O
O2 0.47839(17) 0.73615(10) 0.62568(10) 0.0312(3) Uani d . 1 . . O
O3 0.74983(15) 0.84163(11) 0.69178(10) 0.0256(2) Uani d . 1 . . O
N6 0.4511(2) 0.33854(12) 0.73714(11) 0.0259(3) Uani d . 1 . . N
O4 0.28982(18) 0.29812(13) 0.74079(12) 0.0384(3) Uani d . 1 . . O
O5 0.50345(19) 0.44698(11) 0.74038(12) 0.0365(3) Uani d . 1 . . O
O6 0.55977(19) 0.27295(12) 0.73075(13) 0.0410(3) Uani d . 1 . . O
C1M 0.9560(3) 0.43745(17) 0.84539(18) 0.0343(4) Uani d D 1 . . C
H1M 0.888(3) 0.3582(14) 0.8351(17) 0.029(5) Uiso d D 1 . . H
H2M 1.043(3) 0.461(2) 0.9044(17) 0.062(8) Uiso d D 1 . . H
H3M 1.011(3) 0.434(2) 0.7825(15) 0.053(7) Uiso d D 1 . . H
O1M 0.8485(2) 0.52427(12) 0.86747(12) 0.0354(3) Uani d . 1 . . O
H4M 0.764(3) 0.497(2) 0.831(2) 0.039(7) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 0.01944(11) 0.01741(10) 0.01623(10) 0.00382(7) 0.00093(7) 0.00577(7)
N1 0.0173(6) 0.0181(5) 0.0174(6) 0.0052(4) 0.0019(5) 0.0054(5)
N2 0.0167(6) 0.0181(5) 0.0189(6) 0.0061(4) 0.0041(5) 0.0053(5)
C1 0.0199(7) 0.0182(6) 0.0208(7) 0.0031(5) 0.0016(6) 0.0047(6)
C2 0.0219(8) 0.0220(7) 0.0250(7) 0.0042(5) 0.0052(6) 0.0104(6)
C3 0.0260(8) 0.0287(8) 0.0207(7) 0.0043(6) 0.0045(6) 0.0114(6)
C4 0.0226(8) 0.0239(7) 0.0172(7) 0.0026(6) 0.0013(6) 0.0048(6)
C5 0.0149(7) 0.0183(6) 0.0188(6) 0.0048(5) 0.0035(5) 0.0056(5)
C6 0.0159(7) 0.0167(6) 0.0187(6) 0.0055(5) 0.0042(5) 0.0037(5)
C7 0.0200(8) 0.0208(7) 0.0193(7) 0.0049(5) 0.0018(6) 0.0030(6)
C8 0.0200(8) 0.0194(7) 0.0258(8) 0.0029(5) 0.0038(6) 0.0017(6)
C9 0.0229(8) 0.0198(7) 0.0299(8) 0.0038(6) 0.0075(6) 0.0081(6)
C10 0.0207(8) 0.0217(7) 0.0232(7) 0.0070(5) 0.0061(6) 0.0092(6)
N3 0.0161(6) 0.0203(6) 0.0196(6) 0.0047(4) 0.0031(5) 0.0064(5)
N4 0.0188(6) 0.0185(5) 0.0182(6) 0.0046(4) 0.0013(5) 0.0054(5)
C11 0.0208(8) 0.0228(7) 0.0232(7) 0.0071(5) 0.0034(6) 0.0081(6)
C12 0.0216(8) 0.0212(7) 0.0302(8) 0.0088(6) 0.0054(6) 0.0058(6)
C13 0.0203(8) 0.0226(7) 0.0251(8) 0.0063(6) 0.0053(6) 0.0012(6)
C14 0.0180(7) 0.0255(7) 0.0184(7) 0.0041(5) 0.0029(6) 0.0045(6)
C15 0.0125(7) 0.0212(6) 0.0194(7) 0.0029(5) 0.0030(5) 0.0068(6)
C16 0.0133(7) 0.0211(6) 0.0202(7) 0.0025(5) 0.0036(5) 0.0071(6)
C17 0.0203(8) 0.0275(7) 0.0195(7) 0.0040(6) 0.0041(6) 0.0092(6)
C18 0.0227(8) 0.0308(8) 0.0258(8) 0.0059(6) 0.0020(6) 0.0163(7)
C19 0.0248(8) 0.0241(7) 0.0307(8) 0.0076(6) 0.0034(7) 0.0131(7)
C20 0.0231(8) 0.0203(7) 0.0241(7) 0.0057(5) 0.0034(6) 0.0072(6)
N5 0.0222(7) 0.0207(6) 0.0187(6) 0.0069(5) 0.0050(5) 0.0084(5)
O1 0.0200(6) 0.0211(5) 0.0202(5) 0.0084(4) 0.0032(4) 0.0041(4)
O2 0.0315(7) 0.0204(5) 0.0336(7) 0.0023(5) 0.0019(5) 0.0013(5)
O3 0.0196(6) 0.0343(6) 0.0274(6) 0.0122(5) 0.0076(5) 0.0125(5)
N6 0.0284(8) 0.0254(6) 0.0216(6) 0.0023(5) -0.0009(5) 0.0082(5)
O4 0.0275(7) 0.0474(8) 0.0430(8) -0.0014(6) 0.0023(6) 0.0252(7)
O5 0.0385(8) 0.0250(6) 0.0478(8) 0.0050(5) 0.0105(6) 0.0157(6)
O6 0.0355(8) 0.0284(6) 0.0527(9) 0.0096(5) -0.0101(7) 0.0069(6)
C1M 0.0301(10) 0.0286(8) 0.0445(11) 0.0058(7) 0.0046(8) 0.0137(8)
O1M 0.0364(8) 0.0283(6) 0.0378(8) 0.0092(6) 0.0000(6) 0.0065(6)
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_3
_geom_angle
N1 Cu1 N4 . 176.01(5)
N1 Cu1 N2 . 81.64(5)
N4 Cu1 N2 . 99.45(5)
N1 Cu1 N3 . 102.09(5)
N4 Cu1 N3 . 80.39(5)
N2 Cu1 N3 . 126.64(5)
N1 Cu1 O1 . 89.43(5)
N4 Cu1 O1 . 87.35(5)
N2 Cu1 O1 . 141.56(4)
N3 Cu1 O1 . 91.77(4)
N1 Cu1 O2 . 86.76(5)
N4 Cu1 O2 . 89.39(5)
N2 Cu1 O2 . 89.82(4)
N3 Cu1 O2 . 143.16(4)
O1 Cu1 O2 . 52.22(4)
C1 N1 C5 . 119.51(13)
C1 N1 Cu1 . 125.07(10)
C5 N1 Cu1 . 115.05(10)
C10 N2 C6 . 118.67(13)
C10 N2 Cu1 . 127.46(11)
C6 N2 Cu1 . 113.58(10)
N1 C1 C2 . 121.83(14)
N1 C1 H1 . 118.8(11)
C2 C1 H1 . 119.4(11)
C1 C2 C3 . 118.95(15)
C1 C2 H2 . 120.5(13)
C3 C2 H2 . 120.6(13)
C2 C3 C4 . 119.28(15)
C2 C3 H3 . 117.8(13)
C4 C3 H3 . 123.0(12)
C5 C4 C3 . 119.10(14)
C5 C4 H4 . 121.5(13)
C3 C4 H4 . 119.4(13)
N1 C5 C4 . 121.29(14)
N1 C5 C6 . 114.23(13)
C4 C5 C6 . 124.47(13)
N2 C6 C7 . 121.99(14)
N2 C6 C5 . 114.86(12)
C7 C6 C5 . 123.07(14)
C8 C7 C6 . 118.90(15)
C8 C7 H7 . 119.4(14)
C6 C7 H7 . 121.7(14)
C7 C8 C9 . 119.26(15)
C7 C8 H8 . 118.8(12)
C9 C8 H8 . 121.9(12)
C8 C9 C10 . 118.84(15)
C8 C9 H9 . 119.1(14)
C10 C9 H9 . 122.0(14)
N2 C10 C9 . 122.34(15)
N2 C10 H10 . 115.8(12)
C9 C10 H10 . 121.9(12)
C11 N3 C15 . 118.67(13)
C20 N4 C16 . 118.93(13)
N3 C11 C12 . 122.64(15)
N3 C11 H11 . 118.7(12)
C12 C11 H11 . 118.6(12)
Cu1 C11 H11 . 87.0(12)
C13 C12 C11 . 118.68(15)
C13 C12 H12 . 121.5(15)
C11 C12 H12 . 119.8(15)
C12 C13 C14 . 119.32(14)
C12 C13 H13 . 117.9(13)
C14 C13 H13 . 122.7(13)
C13 C14 C15 . 118.77(15)
C13 C14 H14 . 122.1(11)
C15 C14 H14 . 119.0(11)
N3 C15 C14 . 121.91(14)
N3 C15 C16 . 115.31(12)
C14 C15 C16 . 122.78(14)
N4 C16 C17 . 121.47(14)
N4 C16 C15 . 115.23(13)
C17 C16 C15 . 123.29(13)
C16 C17 C18 . 119.20(14)
C16 C17 H17 . 118.9(13)
C18 C17 H17 . 121.8(13)
C19 C18 C17 . 119.10(15)
C19 C18 H18 . 118.4(14)
C17 C18 H18 . 122.3(14)
C20 C19 C18 . 118.95(15)
C20 C19 H19 . 123.0(16)
C18 C19 H19 . 118.0(16)
N4 C20 C19 . 122.34(15)
N4 C20 H20 . 116.0(12)
C19 C20 H20 . 121.6(12)
O3 N5 O2 . 122.87(13)
O3 N5 O1 . 118.98(12)
O2 N5 O1 . 118.14(13)
N5 O1 Cu1 . 106.06(9)
N5 O2 Cu1 . 83.01(8)
N5 O3 Cu1 1_655 173.72(10)
O6 N6 O4 . 120.52(15)
O6 N6 O5 . 119.88(15)
O4 N6 O5 . 119.60(15)
O1m C1m H1m . 111.5(13)
O1m C1m H2m . 107.6(17)
H1m C1m H2m . 109(2)
O1m C1m H3m . 110.6(16)
H1m C1m H3m . 108(2)
H2m C1m H3m . 110(2)
C1m O1m H4m . 108(2)
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 N1 . 1.9700(10) yes
Cu1 N4 . 1.9870(10) yes
Cu1 N2 . 2.0180(10) yes
Cu1 N3 . 2.0980(10) yes
Cu1 O1 . 2.1570(10) yes
Cu1 O2 . 2.6650(10) yes
N1 C1 . 1.345(2) ?
N1 C5 . 1.354(2) ?
N2 C10 . 1.343(2) ?
N2 C6 . 1.348(2) ?
C1 C2 . 1.382(2) ?
C1 H1 . 0.924(10) ?
C2 C3 . 1.386(2) ?
C2 H2 . 0.905(11) ?
C3 C4 . 1.391(2) ?
C3 H3 . 0.925(11) ?
C4 C5 . 1.383(2) ?
C4 H4 . 0.915(11) ?
C5 C6 . 1.480(2) ?
C6 C7 . 1.393(2) ?
C7 C8 . 1.383(2) ?
C7 H7 . 0.914(11) ?
C8 C9 . 1.383(2) ?
C8 H8 . 0.921(10) ?
C9 C10 . 1.389(2) ?
C9 H9 . 0.920(11) ?
C10 H10 . 0.921(10) ?
N3 C11 . 1.3435(19) ?
N3 C15 . 1.347(2) ?
N4 C20 . 1.3491(19) ?
N4 C16 . 1.3507(19) ?
C11 C12 . 1.386(2) ?
C11 H11 . 0.926(11) ?
C12 C13 . 1.383(3) ?
C12 H12 . 0.916(11) ?
C13 C14 . 1.390(2) ?
C13 H13 . 0.902(11) ?
C14 C15 . 1.393(2) ?
C14 H14 . 0.924(10) ?
C15 C16 . 1.485(2) ?
C16 C17 . 1.388(2) ?
C17 C18 . 1.388(2) ?
C17 H17 . 0.922(11) ?
C18 C19 . 1.386(2) ?
C18 H18 . 0.911(11) ?
C19 C20 . 1.377(2) ?
C19 H19 . 0.911(11) ?
C20 H20 . 0.914(10) ?
N5 O3 . 1.2374(17) ?
N5 O2 . 1.2442(17) ?
N5 O1 . 1.2860(16) ?
N6 O6 . 1.2376(19) ?
N6 O4 . 1.248(2) ?
N6 O5 . 1.2582(18) ?
C1M O1M . 1.412(2) ?
C1M H1M . 0.944(14) ?
C1M H2M . 0.933(15) ?
C1M H3M . 0.952(15) ?
O1M H4M . 0.74(3) ?
Cu1 Cu1 1_655 7.6862(6) yes
Cu1 Cu1 1_455 7.6862(6) ?
Cu1 Cu1 2_677 7.5234(6) yes
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
_geom_hbond_publ_flag
O1m H4m O5 . 0.74(3) 2.15(3) 2.882(2) 170(3) yes
C1m H3m O4 1_655 0.95(2) 2.90(2) 3.431(3) 116(2) yes
C1m H1m O6 . 0.940(10) 2.65(2) 3.261(3) 123(2) yes
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_publ_flag
N1 C5 C6 N2 -7.04(18) yes
C4 C5 C6 C7 -9.5(2) yes
N3 C15 C16 N4 -3.58(19) yes
C14 C15 C16 C17 -4.1(2) yes