#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:59:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180459 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/28/7212856.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_7212856
loop_
_publ_author_name
'Yan, Peng-Fei'
'Wang, Ying'
'Chen, Peng'
'Zhang, Ju-Wen'
'Wang, Yan'
'Li, Guang-Ming'
_publ_section_title
;
 A two dimensional heterospin layer coordination polymer of
 {[LCuIIGdIII(NO3)CuI2(CN)4]·MeOH}n with short CuI⋯CuI bonds
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4084
_journal_paper_doi               10.1039/c0ce00207k
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C23 H22 Cu3 Gd N7 O8'
_chemical_formula_weight         872.38
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 104.72(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.913(2)
_cell_length_b                   33.876(7)
_cell_length_c                   7.9040(16)
_cell_measurement_temperature    293(2)
_cell_volume                     2826.1(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.1374
_diffrn_reflns_av_sigmaI/netI    0.1189
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            26875
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    4.602
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1695
_refine_diff_density_max         1.891
_refine_diff_density_min         -2.249
_refine_diff_density_rms         0.202
_refine_ls_extinction_coef       0.0029(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         6449
_refine_ls_number_restraints     518
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1267
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0812P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1505
_refine_ls_wR_factor_ref         0.1746
_reflns_number_gt                3931
_reflns_number_total             6449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00207k.txt
_cod_data_source_block           d
_cod_database_code               7212856
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Gd1 Gd 0.75153(4) 0.115154(12) 0.63721(7) 0.03034(18) Uani 1 1 d U
Cu1 Cu 1.05745(11) 0.10410(3) 0.60973(18) 0.0373(3) Uani 1 1 d U
Cu2 Cu 0.38608(15) 0.15787(5) 0.9592(3) 0.0758(6) Uani 1 1 d U
Cu3 Cu 0.43243(13) 0.21091(3) 0.18076(18) 0.0451(4) Uani 1 1 d U
C1 C 0.9609(8) 0.1831(2) 0.5772(13) 0.032(2) Uani 1 1 d U
C2 C 0.8760(9) 0.2108(3) 0.6194(13) 0.036(2) Uani 1 1 d U
C3 C 0.8988(10) 0.2509(3) 0.6162(15) 0.048(3) Uani 1 1 d U
H3 H 0.8447 0.2688 0.6495 0.080 Uiso 1 1 calc R
C4 C 1.0046(12) 0.2643(3) 0.5621(17) 0.057(3) Uani 1 1 d U
H4 H 1.0164 0.2913 0.5502 0.080 Uiso 1 1 calc R
C5 C 1.0891(10) 0.2387(3) 0.5272(15) 0.049(3) Uani 1 1 d U
H5 H 1.1618 0.2484 0.5009 0.080 Uiso 1 1 calc R
C6 C 1.0704(10) 0.1972(3) 0.5293(13) 0.038(2) Uani 1 1 d U
C7 C 1.1680(10) 0.1718(3) 0.4948(15) 0.045(2) Uani 1 1 d U
H7 H 1.2322 0.1836 0.4545 0.080 Uiso 1 1 calc R
C8 C 1.2748(9) 0.1099(3) 0.4749(17) 0.048(3) Uani 1 1 d U
H8A H 1.3521 0.1252 0.4917 0.080 Uiso 1 1 calc R
H8B H 1.2497 0.1013 0.3539 0.080 Uiso 1 1 calc R
C9 C 1.2972(9) 0.0745(3) 0.5949(16) 0.047(3) Uani 1 1 d U
H9A H 1.3335 0.0532 0.5417 0.080 Uiso 1 1 calc R
H9B H 1.3565 0.0813 0.7049 0.080 Uiso 1 1 calc R
C10 C 1.1576(9) 0.0256(3) 0.6663(14) 0.037(2) Uani 1 1 d U
H10 H 1.2206 0.0073 0.6637 0.080 Uiso 1 1 calc R
C11 C 1.0444(9) 0.0117(2) 0.7144(13) 0.032(2) Uani 1 1 d U
C12 C 1.0397(10) -0.0284(3) 0.7639(14) 0.041(2) Uani 1 1 d U
H12 H 1.1065 -0.0450 0.7587 0.080 Uiso 1 1 calc R
C13 C 0.9427(10) -0.0431(3) 0.8179(15) 0.047(3) Uani 1 1 d U
H13 H 0.9426 -0.0696 0.8487 0.080 Uiso 1 1 calc R
C14 C 0.8440(10) -0.0195(3) 0.8280(13) 0.037(2) Uani 1 1 d U
H14 H 0.7777 -0.0298 0.8685 0.080 Uiso 1 1 calc R
C15 C 0.8412(9) 0.0195(2) 0.7789(14) 0.035(2) Uani 1 1 d U
C16 C 0.9421(8) 0.0358(2) 0.7206(12) 0.0275(18) Uani 1 1 d U
C17 C 0.6432(11) 0.0327(3) 0.8549(18) 0.058(3) Uani 1 1 d U
H17A H 0.5843 0.0539 0.8524 0.080 Uiso 1 1 calc R
H17B H 0.6763 0.0241 0.9734 0.080 Uiso 1 1 calc R
H17C H 0.6007 0.0112 0.7853 0.080 Uiso 1 1 calc R
C18 C 0.6785(10) 0.2199(3) 0.6899(17) 0.055(3) Uani 1 1 d U
H18A H 0.6139 0.2052 0.7250 0.080 Uiso 1 1 calc R
H18B H 0.6423 0.2329 0.5807 0.080 Uiso 1 1 calc R
H18C H 0.7136 0.2392 0.7776 0.080 Uiso 1 1 calc R
C19 C 0.8423(12) 0.1356(4) 1.0960(16) 0.058(3) Uani 1 1 d U
H19A H 0.9199 0.1385 1.1854 0.080 Uiso 1 1 calc R
H19B H 0.7936 0.1144 1.1265 0.080 Uiso 1 1 calc R
H19C H 0.7946 0.1597 1.0859 0.080 Uiso 1 1 calc R
C20 C 0.5153(9) 0.1397(3) 0.8554(16) 0.055(3) Uani 0.50 1 d PU
N4' N 0.5153(9) 0.1397(3) 0.8554(16) 0.055(3) Uani 0.50 1 d PU
C21 C 0.2226(10) 0.1420(3) 0.9778(17) 0.051(3) Uani 1 1 d U
C22 C 0.5422(12) 0.1699(3) 0.2979(15) 0.065(3) Uani 0.50 1 d PU
N6' N 0.5422(12) 0.1699(3) 0.2979(15) 0.065(3) Uani 0.50 1 d PU
C23 C 0.3922(9) 0.2267(3) -0.0666(15) 0.051(2) Uani 0.50 1 d PU
N7' N 0.3922(9) 0.2267(3) -0.0666(15) 0.051(2) Uani 0.50 1 d PU
O1 O 0.9322(6) 0.14510(16) 0.5802(9) 0.0337(14) Uani 1 1 d U
O2 O 0.7772(6) 0.19335(18) 0.6695(9) 0.0406(16) Uani 1 1 d U
O3 O 0.9319(6) 0.07379(17) 0.6778(9) 0.0359(14) Uani 1 1 d U
O4 O 0.7471(6) 0.04651(18) 0.7845(11) 0.0452(16) Uani 1 1 d U
O5 O 0.7230(6) 0.0705(2) 0.3856(10) 0.0485(17) Uani 1 1 d U
O6 O 0.5513(10) 0.0404(3) 0.2514(16) 0.104(4) Uani 1 1 d U
O7 O 0.5594(7) 0.0747(2) 0.4885(11) 0.0497(16) Uani 1 1 d U
O8 O 0.8701(7) 0.1271(2) 0.9337(10) 0.0447(15) Uani 1 1 d DU
H8 H 0.88(2) 0.151(3) 0.89(3) 0.20(10) Uiso 1 1 d D
N1 N 1.1727(8) 0.1348(2) 0.5150(12) 0.044(2) Uani 1 1 d U
N2 N 1.1756(7) 0.0616(2) 0.6274(12) 0.0386(19) Uani 1 1 d U
N3 N 0.6102(9) 0.0614(3) 0.3725(14) 0.054(2) Uani 1 1 d U
N4 N 0.5895(8) 0.1304(3) 0.7874(13) 0.0424(18) Uani 0.50 1 d PU
C20' C 0.5895(8) 0.1304(3) 0.7874(13) 0.0424(18) Uani 0.50 1 d PU
N5 N 0.1255(9) 0.1331(3) 0.9789(16) 0.064(3) Uani 1 1 d U
N6 N 0.6233(9) 0.1511(3) 0.3889(14) 0.0456(18) Uani 0.50 1 d PU
C22' C 0.6233(9) 0.1511(3) 0.3889(14) 0.0456(18) Uani 0.50 1 d PU
N7 N 0.3916(9) 0.2487(3) -0.1739(14) 0.045(2) Uani 0.50 1 d PU
C23' C 0.3916(9) 0.2487(3) -0.1739(14) 0.045(2) Uani 0.50 1 d PU
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Gd1 O3 64.8(2) . .
O1 Gd1 O8 81.1(2) . .
O3 Gd1 O8 75.2(2) . .
O1 Gd1 N4 138.7(3) . .
O3 Gd1 N4 138.1(3) . .
O8 Gd1 N4 76.5(3) . .
O1 Gd1 N6 88.2(3) . .
O3 Gd1 N6 134.0(3) . .
O8 Gd1 N6 139.4(3) . .
N4 Gd1 N6 86.9(3) . .
O1 Gd1 O5 92.9(2) . .
O3 Gd1 O5 71.1(2) . .
O8 Gd1 O5 144.9(2) . .
N4 Gd1 O5 124.7(3) . .
N6 Gd1 O5 74.1(3) . .
O1 Gd1 O7 141.1(2) . .
O3 Gd1 O7 107.7(2) . .
O8 Gd1 O7 136.1(3) . .
N4 Gd1 O7 73.8(3) . .
N6 Gd1 O7 70.0(3) . .
O5 Gd1 O7 51.0(2) . .
O1 Gd1 O4 125.4(2) . .
O3 Gd1 O4 61.39(19) . .
O8 Gd1 O4 77.4(3) . .
N4 Gd1 O4 82.7(3) . .
N6 Gd1 O4 137.4(3) . .
O5 Gd1 O4 78.4(2) . .
O7 Gd1 O4 67.5(2) . .
O1 Gd1 O2 61.26(19) . .
O3 Gd1 O2 120.7(2) . .
O8 Gd1 O2 73.9(2) . .
N4 Gd1 O2 79.3(3) . .
N6 Gd1 O2 66.7(3) . .
O5 Gd1 O2 132.7(2) . .
O7 Gd1 O2 129.6(2) . .
O4 Gd1 O2 148.9(2) . .
O1 Gd1 N3 116.6(2) . .
O3 Gd1 N3 89.8(3) . .
O8 Gd1 N3 149.6(3) . .
N4 Gd1 N3 99.6(3) . .
N6 Gd1 N3 69.0(3) . .
O5 Gd1 N3 25.2(2) . .
O7 Gd1 N3 25.8(2) . .
O4 Gd1 N3 72.3(3) . .
O2 Gd1 N3 135.7(3) . .
O1 Gd1 H8 68(4) . .
O3 Gd1 H8 85(4) . .
O8 Gd1 H8 21.5(16) . .
N4 Gd1 H8 80(5) . .
N6 Gd1 H8 120(2) . .
O5 Gd1 H8 154(5) . .
O7 Gd1 H8 151(4) . .
O4 Gd1 H8 98.8(17) . .
O2 Gd1 H8 53(2) . .
N3 Gd1 H8 171.1(17) . .
O3 Cu1 N2 95.4(3) . .
O3 Cu1 O1 83.3(2) . .
N2 Cu1 O1 176.5(3) . .
O3 Cu1 N1 173.7(4) . .
N2 Cu1 N1 86.6(3) . .
O1 Cu1 N1 94.4(3) . .
O3 Cu1 Gd1 41.77(17) . .
N2 Cu1 Gd1 136.7(2) . .
O1 Cu1 Gd1 41.65(18) . .
N1 Cu1 Gd1 135.2(3) . .
C20 Cu2 C21 138.8(5) . .
C20 Cu2 N7' 104.1(4) . 1_556
C21 Cu2 N7' 109.6(4) . 1_556
C20 Cu2 C23 104.1(4) . 1_556
C21 Cu2 C23 109.6(4) . 1_556
N7' Cu2 C23 0.00(5) 1_556 1_556
C20 Cu2 Cu3 120.0(3) . 1_556
C21 Cu2 Cu3 100.2(3) . 1_556
N7' Cu2 Cu3 48.1(3) 1_556 1_556
C23 Cu2 Cu3 48.1(3) 1_556 1_556
C23' Cu3 N7 0.0(7) 4_566 4_566
C23' Cu3 C22 116.2(5) 4_566 .
N7 Cu3 C22 116.2(5) 4_566 .
C23' Cu3 C23 112.1(4) 4_566 .
N7 Cu3 C23 112.1(4) 4_566 .
C22 Cu3 C23 129.3(5) . .
C23' Cu3 Cu2 155.5(3) 4_566 1_554
N7 Cu3 Cu2 155.5(3) 4_566 1_554
C22 Cu3 Cu2 78.7(4) . 1_554
C23 Cu3 Cu2 62.5(3) . 1_554
O1 C1 C2 117.9(8) . .
O1 C1 C6 123.3(8) . .
C2 C1 C6 118.8(8) . .
O2 C2 C3 125.9(9) . .
O2 C2 C1 113.0(7) . .
C3 C2 C1 121.0(9) . .
C2 C3 C4 119.2(10) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C5 C4 C3 121.0(10) . .
C5 C4 H4 119.5 . .
C3 C4 H4 119.5 . .
C4 C5 C6 121.8(10) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 117.9(9) . .
C5 C6 C7 118.1(9) . .
C1 C6 C7 123.8(8) . .
N1 C7 C6 125.1(9) . .
N1 C7 H7 117.5 . .
C6 C7 H7 117.5 . .
N1 C8 C9 109.0(8) . .
N1 C8 H8A 109.9 . .
C9 C8 H8A 109.9 . .
N1 C8 H8B 109.9 . .
C9 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
N2 C9 C8 109.5(8) . .
N2 C9 H9A 109.8 . .
C8 C9 H9A 109.8 . .
N2 C9 H9B 109.8 . .
C8 C9 H9B 109.8 . .
H9A C9 H9B 108.2 . .
N2 C10 C11 124.1(8) . .
N2 C10 H10 118.0 . .
C11 C10 H10 118.0 . .
C16 C11 C12 117.8(8) . .
C16 C11 C10 123.8(8) . .
C12 C11 C10 118.3(8) . .
C13 C12 C11 122.2(9) . .
C13 C12 H12 118.9 . .
C11 C12 H12 118.9 . .
C12 C13 C14 120.2(9) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C13 C14 C15 120.7(9) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
C14 C15 O4 126.2(8) . .
C14 C15 C16 120.5(8) . .
O4 C15 C16 113.3(7) . .
O3 C16 C11 125.1(8) . .
O3 C16 C15 116.3(7) . .
C11 C16 C15 118.6(8) . .
O4 C17 H17A 109.5 . .
O4 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
O4 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O2 C18 H18A 109.5 . .
O2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
O2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O8 C19 H19A 109.5 . .
O8 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O8 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N4 C20 Cu2 176.3(11) . .
N5 C21 Cu2 176.1(13) . .
N6 C22 Cu3 166.0(11) . .
N7 C23 Cu3 152.2(10) . .
N7 C23 Cu2 136.8(10) . 1_554
Cu3 C23 Cu2 69.3(3) . 1_554
C1 O1 Cu1 122.7(5) . .
C1 O1 Gd1 129.3(5) . .
Cu1 O1 Gd1 105.6(2) . .
C2 O2 C18 115.3(7) . .
C2 O2 Gd1 118.1(5) . .
C18 O2 Gd1 124.4(6) . .
C16 O3 Cu1 125.3(5) . .
C16 O3 Gd1 128.3(5) . .
Cu1 O3 Gd1 106.0(2) . .
C15 O4 C17 117.0(7) . .
C15 O4 Gd1 118.6(5) . .
C17 O4 Gd1 124.0(5) . .
N3 O5 Gd1 98.0(6) . .
N3 O7 Gd1 93.7(5) . .
C19 O8 Gd1 136.7(7) . .
C19 O8 H8 103(10) . .
Gd1 O8 H8 81(10) . .
C7 N1 C8 122.8(8) . .
C7 N1 Cu1 125.2(7) . .
C8 N1 Cu1 111.9(6) . .
C10 N2 C9 121.3(8) . .
C10 N2 Cu1 126.2(6) . .
C9 N2 Cu1 112.5(6) . .
O6 N3 O5 121.1(10) . .
O6 N3 O7 121.8(10) . .
O5 N3 O7 117.1(9) . .
O6 N3 Gd1 175.6(9) . .
O5 N3 Gd1 56.8(5) . .
O7 N3 Gd1 60.4(5) . .
C20 N4 Gd1 176.0(9) . .
C22 N6 Gd1 162.9(10) . .
C23 N7 Cu3 165.4(10) . 4_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.361(6) .
Gd1 O3 2.371(6) .
Gd1 O8 2.406(8) .
Gd1 N4 2.423(8) .
Gd1 N6 2.429(10) .
Gd1 O5 2.455(7) .
Gd1 O7 2.531(7) .
Gd1 O4 2.606(6) .
Gd1 O2 2.669(6) .
Gd1 N3 2.904(9) .
Gd1 H8 2.4(2) .
Cu1 O3 1.896(6) .
Cu1 N2 1.913(8) .
Cu1 O1 1.921(6) .
Cu1 N1 1.925(8) .
Cu2 C20 1.905(10) .
Cu2 C21 1.904(11) .
Cu2 N7' 2.342(10) 1_556
Cu2 C23 2.342(10) 1_556
Cu2 Cu3 2.470(2) 1_556
Cu3 C23' 1.911(9) 4_566
Cu3 N7 1.911(9) 4_566
Cu3 C22 1.913(11) .
Cu3 C23 1.965(11) .
Cu3 Cu2 2.470(2) 1_554
C1 O1 1.326(10) .
C1 C2 1.417(13) .
C1 C6 1.425(13) .
C2 O2 1.373(11) .
C2 C3 1.383(13) .
C3 C4 1.404(15) .
C3 H3 0.9300 .
C4 C5 1.345(15) .
C4 H4 0.9300 .
C5 C6 1.421(13) .
C5 H5 0.9300 .
C6 C7 1.449(14) .
C7 N1 1.261(12) .
C7 H7 0.9300 .
C8 N1 1.494(12) .
C8 C9 1.511(15) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N2 1.481(12) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.285(12) .
C10 C11 1.460(12) .
C10 H10 0.9300 .
C11 C16 1.396(11) .
C11 C12 1.418(12) .
C12 C13 1.334(14) .
C12 H12 0.9300 .
C13 C14 1.361(14) .
C13 H13 0.9300 .
C14 C15 1.374(12) .
C14 H14 0.9300 .
C15 O4 1.385(10) .
C15 C16 1.410(12) .
C16 O3 1.327(10) .
C17 O4 1.461(11) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 O2 1.444(11) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 O8 1.422(13) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 N4 1.124(12) .
C21 N5 1.104(13) .
C22 N6 1.175(14) .
C23 N7 1.129(13) .
C23 Cu2 2.342(10) 1_554
O5 N3 1.247(10) .
O6 N3 1.234(12) .
O7 N3 1.269(11) .
O8 H8 0.90(5) .
N7 Cu3 1.911(9) 4_565
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O8 H8 O2 0.90(5) 2.29(14) 3.058(10) 142(18)
