#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/44/2014455.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_2014455
loop_
_publ_author_name
'Moreno, Yanko'
'Vega, Andrés'
'Spodine, Evgenia'
'Ushak, Esvetlana'
'Baggio, Ricardo'
_publ_section_title
;
 Comparative study of two chemically isostructural polymers:
 [Cu₂(VO₂)(HPO₄)₂(NO₃)(bpy)₂]·2H₂O/H₃PO₄ (bpy
 is 2,2'-bipyridine)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m484
_journal_page_last               m488
_journal_paper_doi               10.1107/S0108270104019687
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac
'[Cu2 V (H P O4)2 (N O3) O2 (C10 H8 N2)2] , 2H2 O'
_chemical_formula_moiety         'C20 H18 Cu2 N5 O13 P2 V , 2H2 O'
_chemical_formula_sum            'C20 H22 Cu2 N5 O15 P2 V'
_chemical_formula_weight         812.39
_chemical_name_systematic
;
Poly[bis(2,2'-bipyridyl)bis(μ₃-hydrogen
phosphato)nitrato-di-μ₂oxo-dicopper(II)vanadium dihydrate]
;
_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                107.090(2)
_cell_angle_beta                 110.399(2)
_cell_angle_gamma                93.876(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5927(13)
_cell_length_b                   12.0359(15)
_cell_length_c                   12.1655(15)
_cell_measurement_reflns_used    2933
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.19
_cell_measurement_theta_min      4.97
_cell_volume                     1364.3(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1994)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5669
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.083
_exptl_absorpt_correction_T_max  0.72
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.528
_refine_diff_density_min         -0.449
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.829
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         4697
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.829
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0234P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0854
_reflns_number_gt                3098
_reflns_number_total             4697
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fa1078.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2014455
_cod_database_fobs_code          2014455
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
Cu1A -0.49668(6) -0.46008(6) -0.19268(5) 0.02646(17) Uani d . 1 . . Cu
Cu1B -0.46239(6) -0.95434(6) -0.67567(5) 0.02608(17) Uani d . 1 . . Cu
V1 -0.38098(8) -0.73936(8) -0.20562(8) 0.0266(2) Uani d . 1 . . V
P1A -0.31099(13) -0.51393(12) 0.04277(12) 0.0250(3) Uani d . 1 . . P
P1B -0.30809(13) -0.94874(13) -0.39950(12) 0.0263(3) Uani d . 1 . . P
O1A -0.3509(3) -0.6459(3) -0.0339(3) 0.0295(8) Uani d . 1 . . O
O2A -0.3615(3) -0.4863(3) 0.1470(3) 0.0330(9) Uani d . 1 . . O
O3A -0.1481(3) -0.4825(4) 0.1159(3) 0.0391(10) Uani d D 1 . . O
H3A -0.115(5) -0.460(5) 0.073(4) 0.047 Uiso d D 1 . . H
O4A -0.3463(3) -0.4390(3) -0.0388(3) 0.0273(8) Uani d . 1 . . O
O1B -0.3303(3) -0.8246(3) -0.3426(3) 0.0279(8) Uani d . 1 . . O
O2B -0.3951(3) -1.0439(3) -0.3861(3) 0.0292(8) Uani d . 1 . . O
O3B -0.1556(3) -0.9567(4) -0.3253(3) 0.0397(10) Uani d D 1 . . O
H3B -0.098(4) -0.903(3) -0.315(5) 0.048 Uiso d D 1 . . H
O4B -0.3219(3) -0.9704(3) -0.5327(3) 0.0299(9) Uani d . 1 . . O
O1D -0.1652(3) -0.6367(3) -0.1450(3) 0.0379(9) Uani d . 1 . . O
O2D -0.1778(4) -0.7890(3) -0.0899(3) 0.0389(10) Uani d . 1 . . O
O3D 0.0207(4) -0.6813(4) -0.0378(4) 0.0613(13) Uani d . 1 . . O
N1A -0.6332(4) -0.4173(4) -0.3305(3) 0.0277(10) Uani d . 1 . . N
N2A -0.3722(4) -0.4104(4) -0.2680(3) 0.0265(10) Uani d . 1 . . N
N1B -0.5802(4) -0.9081(4) -0.8175(3) 0.0264(10) Uani d . 1 . . N
N2B -0.3204(4) -0.9151(4) -0.7394(3) 0.0257(10) Uani d . 1 . . N
N1D -0.1042(5) -0.7019(4) -0.0892(4) 0.0341(11) Uani d . 1 . . N
C1A -0.7661(5) -0.4220(5) -0.3549(4) 0.0342(14) Uani d . 1 . . C
H1AA -0.8039 -0.4534 -0.3095 0.041 Uiso calc R 1 . . H
C2A -0.8505(5) -0.3825(5) -0.4446(5) 0.0401(15) Uani d . 1 . . C
H2AA -0.9429 -0.3858 -0.4583 0.048 Uiso calc R 1 . . H
C3A -0.7955(6) -0.3381(5) -0.5135(5) 0.0436(16) Uani d . 1 . . C
H3AA -0.8505 -0.3115 -0.5751 0.052 Uiso calc R 1 . . H
C4A -0.6579(6) -0.3334(5) -0.4901(5) 0.0367(14) Uani d . 1 . . C
H4AA -0.6186 -0.3041 -0.5358 0.044 Uiso calc R 1 . . H
C5A -0.5793(5) -0.3732(4) -0.3974(4) 0.0286(13) Uani d . 1 . . C
C6A -0.4308(5) -0.3708(5) -0.3635(4) 0.0284(13) Uani d . 1 . . C
C7A -0.3550(5) -0.3312(5) -0.4221(5) 0.0356(14) Uani d . 1 . . C
H7AA -0.3961 -0.3023 -0.4864 0.043 Uiso calc R 1 . . H
C8A -0.2175(6) -0.3357(5) -0.3828(5) 0.0433(16) Uani d . 1 . . C
H8AA -0.1647 -0.3106 -0.4212 0.052 Uiso calc R 1 . . H
C9A -0.1580(5) -0.3774(5) -0.2866(5) 0.0375(14) Uani d . 1 . . C
H9AA -0.0652 -0.3810 -0.2593 0.045 Uiso calc R 1 . . H
C10A -0.2391(6) -0.4136(5) -0.2320(5) 0.0367(14) Uani d . 1 . . C
H10A -0.1990 -0.4417 -0.1668 0.044 Uiso calc R 1 . . H
C1B -0.7147(5) -0.9104(5) -0.8540(5) 0.0352(14) Uani d . 1 . . C
H1BA -0.7617 -0.9385 -0.8128 0.042 Uiso calc R 1 . . H
C2B -0.7870(6) -0.8726(5) -0.9506(5) 0.0393(15) Uani d . 1 . . C
H2BA -0.8807 -0.8742 -0.9729 0.047 Uiso calc R 1 . . H
C3B -0.7191(6) -0.8328(5) -1.0129(5) 0.0385(15) Uani d . 1 . . C
H3BA -0.7661 -0.8072 -1.0783 0.046 Uiso calc R 1 . . H
C4B -0.5808(5) -0.8310(5) -0.9779(4) 0.0336(13) Uani d . 1 . . C
H4BA -0.5329 -0.8039 -1.0191 0.040 Uiso calc R 1 . . H
C5B -0.5134(5) -0.8701(4) -0.8805(4) 0.0268(12) Uani d . 1 . . C
C6B -0.3651(5) -0.8744(4) -0.8355(4) 0.0238(12) Uani d . 1 . . C
C7B -0.2774(5) -0.8427(5) -0.8879(5) 0.0354(14) Uani d . 1 . . C
H7BA -0.3096 -0.8144 -0.9540 0.042 Uiso calc R 1 . . H
C8B -0.1426(6) -0.8536(5) -0.8410(5) 0.0387(14) Uani d . 1 . . C
H8BA -0.0825 -0.8325 -0.8749 0.046 Uiso calc R 1 . . H
C9B -0.0973(5) -0.8959(5) -0.7440(5) 0.0389(15) Uani d . 1 . . C
H9BA -0.0065 -0.9047 -0.7118 0.047 Uiso calc R 1 . . H
C10B -0.1883(5) -0.9249(5) -0.6953(5) 0.0351(14) Uani d . 1 . . C
H10B -0.1570 -0.9527 -0.6288 0.042 Uiso calc R 1 . . H
O1 -0.4734(3) -0.6575(3) -0.2753(3) 0.0305(9) Uani d . 1 . . O
O2 -0.4872(3) -0.8489(3) -0.2158(3) 0.0307(9) Uani d . 1 . . O
O1W 0.2404(5) -0.7931(5) -0.3923(5) 0.0701(14) Uani d D 1 . . O
H1WA 0.303(5) -0.753(4) -0.325(3) 0.084 Uiso d D 1 . . H
H1WB 0.263(6) -0.858(3) -0.414(5) 0.084 Uiso d D 1 . . H
O2W 0.0369(5) -0.7826(4) -0.3052(5) 0.0695(14) Uani d D 1 . . O
H2WA 0.088(5) -0.800(5) -0.343(5) 0.083 Uiso d D 1 . . H
H2WB 0.063(6) -0.714(2) -0.259(5) 0.083 Uiso d D 1 . . H
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
_geom_angle_publ_flag
O2A Cu1A O4A 2_445 . 96.83(13) y
O2A Cu1A N2A 2_445 . 170.68(14) y
O4A Cu1A N2A . . 92.42(14) y
O2A Cu1A N1A 2_445 . 91.52(15) y
O4A Cu1A N1A . . 158.98(16) y
N2A Cu1A N1A . . 80.14(16) y
O2A Cu1A O1 2_445 . 90.03(13) y
O4A Cu1A O1 . . 90.76(12) y
N2A Cu1A O1 . . 88.72(14) y
N1A Cu1A O1 . . 108.56(14) y
O2B Cu1B O4B 2_434 . 95.86(13) y
O2B Cu1B N1B 2_434 . 91.26(15) y
O4B Cu1B N1B . . 168.04(15) y
O2B Cu1B N2B 2_434 . 166.80(16) y
O4B Cu1B N2B . . 90.38(14) y
N1B Cu1B N2B . . 80.78(16) y
O2B Cu1B O2 2_434 2_434 95.54(13) y
O4B Cu1B O2 . 2_434 93.38(13) y
N1B Cu1B O2 . 2_434 95.49(14) y
N2B Cu1B O2 . 2_434 95.69(14) y
O2 V1 O1 . . 106.87(17) y
O2 V1 O1B . . 97.03(15) y
O1 V1 O1B . . 97.37(14) y
O2 V1 O1A . . 95.48(15) y
O1 V1 O1A . . 97.87(15) y
O1B V1 O1A . . 156.54(13) y
O2 V1 O1D . . 152.42(15) y
O1 V1 O1D . . 100.71(15) y
O1B V1 O1D . . 78.85(13) y
O1A V1 O1D . . 80.87(13) y
O2 V1 O2D . . 97.45(15) y
O1 V1 O2D . . 155.61(15) y
O1B V1 O2D . . 81.07(12) y
O1A V1 O2D . . 77.68(13) y
O1D V1 O2D . . 55.00(12) y
O4A P1A O2A . . 115.7(2) ?
O4A P1A O1A . . 111.67(18) ?
O2A P1A O1A . . 111.39(19) ?
O4A P1A O3A . . 106.84(19) ?
O2A P1A O3A . . 102.49(19) ?
O1A P1A O3A . . 108.0(2) ?
O2B P1B O4B . . 113.38(19) ?
O2B P1B O1B . . 113.39(19) ?
O4B P1B O1B . . 110.29(19) ?
O2B P1B O3B . . 104.8(2) ?
O4B P1B O3B . . 106.1(2) ?
O1B P1B O3B . . 108.3(2) ?
P1A O1A V1 . . 134.8(2) ?
P1A O2A Cu1A . 2_445 142.0(2) ?
P1A O3A H3A . . 108(4) ?
P1A O4A Cu1A . . 132.4(2) ?
P1B O1B V1 . . 138.0(2) ?
P1B O2B Cu1B . 2_434 134.2(2) ?
P1B O3B H3B . . 115(4) ?
P1B O4B Cu1B . . 133.0(2) ?
N1D O1D V1 . . 95.8(3) ?
N1D O2D V1 . . 92.4(3) ?
C1A N1A C5A . . 118.3(4) ?
C1A N1A Cu1A . . 126.4(3) ?
C5A N1A Cu1A . . 115.1(3) ?
C10A N2A C6A . . 118.6(4) ?
C10A N2A Cu1A . . 125.5(4) ?
C6A N2A Cu1A . . 115.9(3) ?
C1B N1B C5B . . 118.2(4) ?
C1B N1B Cu1B . . 126.6(3) ?
C5B N1B Cu1B . . 115.2(3) ?
C10B N2B C6B . . 118.3(4) ?
C10B N2B Cu1B . . 126.4(3) ?
C6B N2B Cu1B . . 115.2(3) ?
O3D N1D O1D . . 120.9(5) ?
O3D N1D O2D . . 122.3(5) ?
O1D N1D O2D . . 116.8(4) ?
N1A C1A C2A . . 122.9(5) ?
N1A C1A H1AA . . 118.5 ?
C2A C1A H1AA . . 118.5 ?
C3A C2A C1A . . 118.7(5) ?
C3A C2A H2AA . . 120.6 ?
C1A C2A H2AA . . 120.6 ?
C2A C3A C4A . . 119.1(5) ?
C2A C3A H3AA . . 120.4 ?
C4A C3A H3AA . . 120.4 ?
C3A C4A C5A . . 118.8(5) ?
C3A C4A H4AA . . 120.6 ?
C5A C4A H4AA . . 120.6 ?
N1A C5A C4A . . 122.1(5) ?
N1A C5A C6A . . 114.5(4) ?
C4A C5A C6A . . 123.3(5) ?
N2A C6A C7A . . 121.6(5) ?
N2A C6A C5A . . 114.1(4) ?
C7A C6A C5A . . 124.2(5) ?
C8A C7A C6A . . 118.4(5) ?
C8A C7A H7AA . . 120.8 ?
C6A C7A H7AA . . 120.8 ?
C7A C8A C9A . . 120.1(5) ?
C7A C8A H8AA . . 120.0 ?
C9A C8A H8AA . . 120.0 ?
C10A C9A C8A . . 118.3(5) ?
C10A C9A H9AA . . 120.8 ?
C8A C9A H9AA . . 120.8 ?
N2A C10A C9A . . 123.1(5) ?
N2A C10A H10A . . 118.5 ?
C9A C10A H10A . . 118.5 ?
N1B C1B C2B . . 122.6(5) ?
N1B C1B H1BA . . 118.7 ?
C2B C1B H1BA . . 118.7 ?
C3B C2B C1B . . 119.1(5) ?
C3B C2B H2BA . . 120.4 ?
C1B C2B H2BA . . 120.4 ?
C2B C3B C4B . . 119.3(5) ?
C2B C3B H3BA . . 120.3 ?
C4B C3B H3BA . . 120.3 ?
C3B C4B C5B . . 119.1(5) ?
C3B C4B H4BA . . 120.4 ?
C5B C4B H4BA . . 120.4 ?
N1B C5B C4B . . 121.7(5) ?
N1B C5B C6B . . 114.1(4) ?
C4B C5B C6B . . 124.2(4) ?
N2B C6B C7B . . 121.3(4) ?
N2B C6B C5B . . 114.5(4) ?
C7B C6B C5B . . 124.2(5) ?
C8B C7B C6B . . 119.2(5) ?
C8B C7B H7BA . . 120.4 ?
C6B C7B H7BA . . 120.4 ?
C9B C8B C7B . . 119.6(5) ?
C9B C8B H8BA . . 120.2 ?
C7B C8B H8BA . . 120.2 ?
C8B C9B C10B . . 118.6(5) ?
C8B C9B H9BA . . 120.7 ?
C10B C9B H9BA . . 120.7 ?
N2B C10B C9B . . 122.9(5) ?
N2B C10B H10B . . 118.5 ?
C9B C10B H10B . . 118.5 ?
V1 O1 Cu1A . . 129.75(16) ?
V1 O2 Cu1B . 2_434 133.36(18) ?
H1WA O1W H1WB . . 106(3) ?
H2WA O2W H2WB . . 109(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
Cu1A O2A 2_445 1.909(3) y
Cu1A O4A . 1.922(3) y
Cu1A N2A . 1.999(4) y
Cu1A N1A . 2.021(4) y
Cu1A O1 . 2.360(3) y
Cu1B O2B 2_434 1.908(3) y
Cu1B O4B . 1.926(3) y
Cu1B N1B . 2.001(4) y
Cu1B N2B . 2.004(4) y
Cu1B O2 2_434 2.267(3) y
V1 O2 . 1.620(3) y
V1 O1 . 1.640(3) y
V1 O1B . 1.952(3) y
V1 O1A . 1.959(3) y
V1 O1D . 2.281(3) y
V1 O2D . 2.351(4) y
P1A O4A . 1.500(3) y
P1A O2A . 1.501(3) y
P1A O1A . 1.528(3) y
P1A O3A . 1.599(4) y
P1B O2B . 1.503(3) y
P1B O4B . 1.515(3) y
P1B O1B . 1.523(3) y
P1B O3B . 1.577(4) y
O3A H3A . 0.82(4) ?
O3B H3B . 0.81(4) ?
O1D N1D . 1.253(5) y
O2D N1D . 1.259(5) y
O3D N1D . 1.221(5) y
N1A C1A . 1.327(6) ?
N1A C5A . 1.344(6) ?
N2A C10A . 1.330(6) ?
N2A C6A . 1.350(6) ?
N1B C1B . 1.332(6) ?
N1B C5B . 1.355(6) ?
N2B C10B . 1.341(6) ?
N2B C6B . 1.346(5) ?
C1A C2A . 1.378(7) ?
C1A H1AA . 0.9300 ?
C2A C3A . 1.374(7) ?
C2A H2AA . 0.9300 ?
C3A C4A . 1.379(7) ?
C3A H3AA . 0.9300 ?
C4A C5A . 1.381(6) ?
C4A H4AA . 0.9300 ?
C5A C6A . 1.476(7) ?
C6A C7A . 1.390(6) ?
C7A C8A . 1.376(7) ?
C7A H7AA . 0.9300 ?
C8A C9A . 1.375(7) ?
C8A H8AA . 0.9300 ?
C9A C10A . 1.373(7) ?
C9A H9AA . 0.9300 ?
C10A H10A . 0.9300 ?
C1B C2B . 1.381(6) ?
C1B H1BA . 0.9300 ?
C2B C3B . 1.367(7) ?
C2B H2BA . 0.9300 ?
C3B C4B . 1.373(7) ?
C3B H3BA . 0.9300 ?
C4B C5B . 1.385(6) ?
C4B H4BA . 0.9300 ?
C5B C6B . 1.483(7) ?
C6B C7B . 1.386(6) ?
C7B C8B . 1.372(7) ?
C7B H7BA . 0.9300 ?
C8B C9B . 1.368(7) ?
C8B H8BA . 0.9300 ?
C9B C10B . 1.370(6) ?
C9B H9BA . 0.9300 ?
C10B H10B . 0.9300 ?
O2 Cu1B 2_434 2.267(3) ?
O1W H1WA . 0.83(4) ?
O1W H1WB . 0.83(4) ?
O2W H2WA . 0.83(4) ?
O2W H2WB . 0.82(4) ?
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
O3A H3A O3D 2_545 0.82(4) 2.14(5) 2.871(5) 150(5)
O3B H3B O2W . 0.81(4) 1.91(5) 2.718(5) 175(6)
O1W H1WA O1 1_655 0.83(4) 2.35(5) 2.973(6) 132(6)
O1W H1WB O4B 2_534 0.83(4) 2.18(5) 3.006(6) 179(7)
O2W H2WA O1W . 0.83(4) 1.91(5) 2.708(7) 162(5)
O2W H2WB O3A 2_545 0.82(4) 2.37(5) 3.186(6) 177(7)
