#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:56:56 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179605 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/69/4506943.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_4506943
loop_
_publ_author_name
'Tripuramallu, Bharat Kumar'
'Mukherjee, Sandip'
'Das, Samar K.'
_publ_section_title
;
 Mechanistic Aspects for the Formation of Copper Dimer Bridged by
 Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic
 Linkers: Synthesis, Structural Characterization, Magnetic Properties, and
 Theoretical Studies
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5579
_journal_paper_doi               10.1021/cg3011162
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C28 H28 Cu2 Mo2 N4 O14 P2'
_chemical_formula_sum            'C28 H28 Cu2 Mo2 N4 O14 P2'
_chemical_formula_weight         1025.46
_chemical_name_systematic
;
 ?
;
_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
_cell_angle_alpha                71.952(8)
_cell_angle_beta                 72.257(8)
_cell_angle_gamma                64.876(7)
_cell_formula_units_Z            2
_cell_length_a                   11.130(6)
_cell_length_b                   12.406(7)
_cell_length_c                   13.926(7)
_cell_measurement_reflns_used    7439
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      2.20
_cell_volume                     1621.4(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15400
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    2.227
_exptl_absorpt_correction_T_max  0.7171
_exptl_absorpt_correction_T_min  0.5360
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SAINT'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    2.100
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         5662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0291
_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)+(0.0327P)²+2.0095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0726
_reflns_number_gt                5128
_reflns_number_total             5662
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3011162_si_002.cif
_cod_data_source_block           compound-6
_cod_original_cell_volume        1621.5(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506943
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
H13A H 0.275(7) 0.653(6) 0.210(5) 0.11(3) Uiso 1 1 d .
Mo1 Mo -0.06024(3) 0.85954(2) 0.22973(2) 0.02281(9) Uani 1 1 d .
Mo2 Mo 0.08210(3) 0.85765(2) -0.00891(2) 0.02352(9) Uani 1 1 d .
Cu1 Cu 0.06275(4) 0.80391(4) 0.46159(3) 0.02755(11) Uani 1 1 d .
Cu2 Cu 0.03998(4) 1.21013(4) 0.21860(3) 0.02473(11) Uani 1 1 d .
P1 P 0.21349(8) 0.92283(7) 0.24921(7) 0.02086(19) Uani 1 1 d .
P2 P -0.14651(9) 1.06218(7) 0.37154(7) 0.02224(19) Uani 1 1 d .
O10 O 0.0535(3) 0.7614(2) 0.12693(18) 0.0303(6) Uani 1 1 d .
O9 O -0.0724(2) 0.9809(2) 0.08088(18) 0.0264(5) Uani 1 1 d .
O12 O 0.2543(3) 0.7832(2) -0.0377(2) 0.0441(7) Uani 1 1 d .
O3 O 0.1867(2) 1.0585(2) 0.2370(2) 0.0311(6) Uani 1 1 d .
O6 O -0.0893(2) 1.1626(2) 0.3334(2) 0.0315(6) Uani 1 1 d .
O2 O 0.2012(2) 0.8555(2) 0.36255(19) 0.0320(6) Uani 1 1 d .
O5 O -0.0840(2) 0.9593(2) 0.45426(19) 0.0291(6) Uani 1 1 d .
O1 O -0.0046(3) 0.7578(2) 0.33746(18) 0.0301(6) Uani 1 1 d .
O4 O 0.1276(2) 0.9040(2) 0.19293(19) 0.0332(6) Uani 1 1 d .
O7 O -0.1454(2) 1.0139(2) 0.27996(18) 0.0277(5) Uani 1 1 d .
O11 O 0.0142(3) 0.8112(2) -0.0758(2) 0.0402(7) Uani 1 1 d .
O8 O -0.2074(3) 0.8422(2) 0.2397(2) 0.0378(6) Uani 1 1 d .
N3 N 0.1668(3) 1.2976(2) 0.1310(2) 0.0268(7) Uani 1 1 d .
N4 N -0.0925(3) 1.3847(3) 0.2005(2) 0.0282(7) Uani 1 1 d .
N1 N 0.1928(3) 0.6278(3) 0.4870(2) 0.0309(7) Uani 1 1 d .
N2 N -0.0605(3) 0.7254(3) 0.5690(2) 0.0287(7) Uani 1 1 d .
C13 C 0.3243(4) 1.4359(4) 0.0257(3) 0.0434(10) Uani 1 1 d .
H13 H 0.3778 1.4822 -0.0100 0.052 Uiso 1 1 calc R
C12 C 0.3827(4) 1.3105(4) 0.0482(3) 0.0436(10) Uani 1 1 d .
H12 H 0.4755 1.2711 0.0281 0.052 Uiso 1 1 calc R
C11 C 0.2996(4) 1.2449(3) 0.1013(3) 0.0367(9) Uani 1 1 d .
H11 H 0.3384 1.1604 0.1167 0.044 Uiso 1 1 calc R
C14 C 0.1872(4) 1.4920(3) 0.0562(3) 0.0389(10) Uani 1 1 d .
H14 H 0.1467 1.5765 0.0413 0.047 Uiso 1 1 calc R
C15 C 0.1096(4) 1.4208(3) 0.1097(3) 0.0277(8) Uani 1 1 d .
C16 C -0.0371(4) 1.4700(3) 0.1481(3) 0.0282(8) Uani 1 1 d .
C17 C -0.1168(4) 1.5933(3) 0.1351(3) 0.0369(9) Uani 1 1 d .
H17 H -0.0775 1.6513 0.1005 0.044 Uiso 1 1 calc R
C18 C -0.2534(4) 1.6288(4) 0.1735(3) 0.0443(10) Uani 1 1 d .
H18 H -0.3076 1.7110 0.1661 0.053 Uiso 1 1 calc R
C19 C -0.3098(4) 1.5410(4) 0.2234(3) 0.0448(11) Uani 1 1 d .
H19 H -0.4028 1.5630 0.2479 0.054 Uiso 1 1 calc R
C20 C -0.2256(4) 1.4202(3) 0.2363(3) 0.0366(9) Uani 1 1 d .
H20 H -0.2634 1.3612 0.2713 0.044 Uiso 1 1 calc R
C1 C 0.3227(4) 0.5856(4) 0.4396(3) 0.0444(10) Uani 1 1 d .
H1 H 0.3618 0.6410 0.3959 0.053 Uiso 1 1 calc R
C2 C 0.4006(5) 0.4635(4) 0.4531(4) 0.0527(12) Uani 1 1 d .
H2 H 0.4906 0.4372 0.4190 0.063 Uiso 1 1 calc R
C3 C 0.3440(5) 0.3807(4) 0.5175(4) 0.0526(12) Uani 1 1 d .
H3 H 0.3955 0.2978 0.5281 0.063 Uiso 1 1 calc R
C4 C 0.2096(4) 0.4226(3) 0.5662(3) 0.0414(10) Uani 1 1 d .
H4 H 0.1689 0.3684 0.6100 0.050 Uiso 1 1 calc R
C5 C 0.1362(4) 0.5475(3) 0.5485(3) 0.0316(8) Uani 1 1 d .
C6 C -0.0083(4) 0.6024(3) 0.5932(3) 0.0302(8) Uani 1 1 d .
C7 C -0.0893(4) 0.5361(4) 0.6547(3) 0.0390(10) Uani 1 1 d .
H7 H -0.0524 0.4515 0.6714 0.047 Uiso 1 1 calc R
C8 C -0.2244(5) 0.5974(4) 0.6905(3) 0.0448(10) Uani 1 1 d .
H8 H -0.2802 0.5545 0.7307 0.054 Uiso 1 1 calc R
C9 C -0.2760(4) 0.7222(4) 0.6661(3) 0.0434(10) Uani 1 1 d .
H9 H -0.3668 0.7652 0.6901 0.052 Uiso 1 1 calc R
C10 C -0.1905(4) 0.7836(3) 0.6052(3) 0.0353(9) Uani 1 1 d .
H10 H -0.2255 0.8683 0.5891 0.042 Uiso 1 1 calc R
C21 C 0.3910(3) 0.8577(3) 0.1925(3) 0.0302(8) Uani 1 1 d .
H21A H 0.4432 0.8418 0.2431 0.036 Uiso 1 1 calc R
H21B H 0.4074 0.7797 0.1793 0.036 Uiso 1 1 calc R
C22 C 0.4460(3) 0.9325(3) 0.0925(3) 0.0278(8) Uani 1 1 d .
C23 C 0.3894(4) 0.9740(3) 0.0055(3) 0.0314(8) Uani 1 1 d .
H23 H 0.3141 0.9576 0.0084 0.038 Uiso 1 1 calc R
C24 C 0.5574(4) 0.9606(3) 0.0858(3) 0.0307(8) Uani 1 1 d .
H24 H 0.5966 0.9353 0.1430 0.037 Uiso 1 1 calc R
C25 C -0.3226(3) 1.1396(3) 0.4242(3) 0.0299(8) Uani 1 1 d .
H25A H -0.3266 1.1721 0.4806 0.036 Uiso 1 1 calc R
H25B H -0.3604 1.2083 0.3714 0.036 Uiso 1 1 calc R
C26 C -0.4126(3) 1.0658(3) 0.4634(3) 0.0267(8) Uani 1 1 d .
C28 C -0.4728(4) 1.0440(3) 0.5677(3) 0.0304(8) Uani 1 1 d .
H28 H -0.4551 1.0732 0.6139 0.036 Uiso 1 1 calc R
C27 C -0.4409(3) 1.0209(3) 0.3967(3) 0.0307(8) Uani 1 1 d .
H27 H -0.4015 1.0344 0.3270 0.037 Uiso 1 1 calc R
O13 O 0.3437(5) 0.6197(3) 0.1577(5) 0.0783(13) Uani 1 1 d .
O14 O 0.5519(6) 0.3468(6) 0.2022(5) 0.137(2) Uani 1 1 d .
H13B H 0.37(2) 0.649(18) 0.082(14) 0.46(13) Uiso 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
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
O8 Mo1 O1 101.64(12) . .
O8 Mo1 O10 98.11(12) . .
O1 Mo1 O10 99.00(11) . .
O8 Mo1 O7 96.15(12) . .
O1 Mo1 O7 100.59(11) . .
O10 Mo1 O7 152.85(10) . .
O8 Mo1 O9 93.02(11) . .
O1 Mo1 O9 164.32(11) . .
O10 Mo1 O9 73.17(10) . .
O7 Mo1 O9 83.14(10) . .
O8 Mo1 O4 170.86(11) . .
O1 Mo1 O4 87.49(11) . .
O10 Mo1 O4 80.02(10) . .
O7 Mo1 O4 82.24(10) . .
O9 Mo1 O4 77.87(9) . .
O11 Mo2 O12 106.47(15) . .
O11 Mo2 O10 102.60(12) . .
O12 Mo2 O10 96.34(12) . .
O11 Mo2 O9 105.89(12) . 2_575
O12 Mo2 O9 99.05(12) . 2_575
O10 Mo2 O9 142.04(10) . 2_575
O11 Mo2 O9 110.77(13) . .
O12 Mo2 O9 142.74(13) . .
O10 Mo2 O9 74.65(10) . .
O9 Mo2 O9 72.10(11) 2_575 .
O11 Mo2 Mo2 113.01(10) . 2_575
O12 Mo2 Mo2 127.53(10) . 2_575
O10 Mo2 Mo2 106.89(8) . 2_575
O9 Mo2 Mo2 38.18(7) 2_575 2_575
O9 Mo2 Mo2 33.93(6) . 2_575
O2 Cu1 O5 98.27(11) . .
O2 Cu1 N2 171.51(11) . .
O5 Cu1 N2 90.19(12) . .
O2 Cu1 N1 91.92(12) . .
O5 Cu1 N1 169.79(11) . .
N2 Cu1 N1 79.63(12) . .
O2 Cu1 O1 93.90(11) . .
O5 Cu1 O1 90.59(10) . .
N2 Cu1 O1 86.65(11) . .
N1 Cu1 O1 88.09(11) . .
O3 Cu2 O6 96.03(11) . .
O3 Cu2 N3 91.86(12) . .
O6 Cu2 N3 159.80(11) . .
O3 Cu2 N4 169.47(11) . .
O6 Cu2 N4 90.03(11) . .
N3 Cu2 N4 79.71(12) . .
O3 Cu2 O11 97.62(11) . 2_575
O6 Cu2 O11 103.11(11) . 2_575
N3 Cu2 O11 94.19(11) . 2_575
N4 Cu2 O11 89.35(11) . 2_575
O4 P1 O2 112.45(14) . .
O4 P1 O3 112.50(14) . .
O2 P1 O3 112.22(15) . .
O4 P1 C21 109.77(17) . .
O2 P1 C21 104.71(16) . .
O3 P1 C21 104.57(15) . .
O5 P2 O6 115.21(15) . .
O5 P2 O7 111.31(14) . .
O6 P2 O7 111.27(14) . .
O5 P2 C25 108.84(16) . .
O6 P2 C25 103.38(15) . .
O7 P2 C25 106.10(16) . .
Mo2 O10 Mo1 112.88(12) . .
Mo2 O9 Mo2 107.90(11) 2_575 .
Mo2 O9 Mo1 142.60(13) 2_575 .
Mo2 O9 Mo1 97.66(10) . .
P1 O3 Cu2 137.64(16) . .
P2 O6 Cu2 137.84(16) . .
P1 O2 Cu1 133.79(16) . .
P2 O5 Cu1 137.29(16) . .
Mo1 O1 Cu1 125.01(12) . .
P1 O4 Mo1 138.95(15) . .
P2 O7 Mo1 138.27(15) . .
Mo2 O11 Cu2 158.86(15) . 2_575
C11 N3 C15 119.0(3) . .
C11 N3 Cu2 125.3(2) . .
C15 N3 Cu2 115.4(2) . .
C20 N4 C16 119.0(3) . .
C20 N4 Cu2 125.5(2) . .
C16 N4 Cu2 115.5(2) . .
C1 N1 C5 118.5(3) . .
C1 N1 Cu1 125.9(3) . .
C5 N1 Cu1 115.2(2) . .
C10 N2 C6 119.3(3) . .
C10 N2 Cu1 124.8(2) . .
C6 N2 Cu1 115.2(2) . .
C14 C13 C12 119.8(4) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C13 C12 C11 118.3(4) . .
C13 C12 H12 120.8 . .
C11 C12 H12 120.8 . .
N3 C11 C12 122.7(4) . .
N3 C11 H11 118.7 . .
C12 C11 H11 118.7 . .
C13 C14 C15 119.0(4) . .
C13 C14 H14 120.5 . .
C15 C14 H14 120.5 . .
N3 C15 C14 121.2(3) . .
N3 C15 C16 114.7(3) . .
C14 C15 C16 124.1(3) . .
N4 C16 C17 120.8(3) . .
N4 C16 C15 114.5(3) . .
C17 C16 C15 124.7(3) . .
C18 C17 C16 119.6(4) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C19 119.2(4) . .
C17 C18 H18 120.4 . .
C19 C18 H18 120.4 . .
C20 C19 C18 118.7(4) . .
C20 C19 H19 120.6 . .
C18 C19 H19 120.6 . .
N4 C20 C19 122.6(4) . .
N4 C20 H20 118.7 . .
C19 C20 H20 118.7 . .
N1 C1 C2 122.5(4) . .
N1 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C1 C2 C3 119.4(4) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C2 C3 C4 119.0(4) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C3 C4 C5 118.7(4) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
N1 C5 C4 121.9(4) . .
N1 C5 C6 114.4(3) . .
C4 C5 C6 123.6(3) . .
N2 C6 C7 120.9(4) . .
N2 C6 C5 114.7(3) . .
C7 C6 C5 124.3(3) . .
C8 C7 C6 119.2(4) . .
C8 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
C9 C8 C7 119.3(4) . .
C9 C8 H8 120.4 . .
C7 C8 H8 120.4 . .
C8 C9 C10 119.0(4) . .
C8 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
N2 C10 C9 122.2(4) . .
N2 C10 H10 118.9 . .
C9 C10 H10 118.9 . .
C22 C21 P1 117.2(2) . .
C22 C21 H21A 108.0 . .
P1 C21 H21A 108.0 . .
C22 C21 H21B 108.0 . .
P1 C21 H21B 108.0 . .
H21A C21 H21B 107.2 . .
C23 C22 C24 117.5(3) . .
C23 C22 C21 122.3(3) . .
C24 C22 C21 120.2(3) . .
C22 C23 C24 121.7(3) . 2_675
C22 C23 H23 119.2 . .
C24 C23 H23 119.2 2_675 .
C23 C24 C22 120.8(3) 2_675 .
C23 C24 H24 119.6 2_675 .
C22 C24 H24 119.6 . .
C26 C25 P2 117.1(2) . .
C26 C25 H25A 108.0 . .
P2 C25 H25A 108.0 . .
C26 C25 H25B 108.0 . .
P2 C25 H25B 108.0 . .
H25A C25 H25B 107.3 . .
C27 C26 C28 118.3(3) . .
C27 C26 C25 121.1(3) . .
C28 C26 C25 120.6(3) . .
C27 C28 C26 120.6(3) 2_476 .
C27 C28 H28 119.7 2_476 .
C26 C28 H28 119.7 . .
C26 C27 C28 121.1(3) . 2_476
C26 C27 H27 119.4 . .
C28 C27 H27 119.4 2_476 .
H13A O13 H13B 133(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O8 1.700(3) .
Mo1 O1 1.719(2) .
Mo1 O10 1.949(2) .
Mo1 O7 1.985(3) .
Mo1 O9 2.155(2) .
Mo1 O4 2.256(3) .
Mo2 O11 1.704(3) .
Mo2 O12 1.716(3) .
Mo2 O10 1.914(2) .
Mo2 O9 1.915(2) 2_575
Mo2 O9 2.121(2) .
Mo2 Mo2 3.2653(18) 2_575
Cu1 O2 1.918(3) .
Cu1 O5 1.924(2) .
Cu1 N2 2.012(3) .
Cu1 N1 2.035(3) .
Cu1 O1 2.376(3) .
Cu2 O3 1.903(2) .
Cu2 O6 1.926(2) .
Cu2 N3 2.022(3) .
Cu2 N4 2.026(3) .
Cu2 O11 2.362(3) 2_575
P1 O4 1.530(3) .
P1 O2 1.535(3) .
P1 O3 1.542(3) .
P1 C21 1.808(4) .
P2 O5 1.505(3) .
P2 O6 1.515(2) .
P2 O7 1.563(3) .
P2 C25 1.807(3) .
O9 Mo2 1.915(2) 2_575
O11 Cu2 2.362(3) 2_575
N3 C11 1.326(5) .
N3 C15 1.355(4) .
N4 C20 1.330(5) .
N4 C16 1.355(4) .
N1 C1 1.338(5) .
N1 C5 1.341(5) .
N2 C10 1.328(5) .
N2 C6 1.353(5) .
C13 C14 1.371(6) .
C13 C12 1.380(6) .
C13 H13 0.9300 .
C12 C11 1.383(5) .
C12 H12 0.9300 .
C11 H11 0.9300 .
C14 C15 1.389(5) .
C14 H14 0.9300 .
C15 C16 1.465(5) .
C16 C17 1.390(5) .
C17 C18 1.369(6) .
C17 H17 0.9300 .
C18 C19 1.381(6) .
C18 H18 0.9300 .
C19 C20 1.378(5) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C1 C2 1.374(6) .
C1 H1 0.9300 .
C2 C3 1.374(6) .
C2 H2 0.9300 .
C3 C4 1.381(6) .
C3 H3 0.9300 .
C4 C5 1.393(5) .
C4 H4 0.9300 .
C5 C6 1.470(5) .
C6 C7 1.395(5) .
C7 C8 1.377(6) .
C7 H7 0.9300 .
C8 C9 1.372(6) .
C8 H8 0.9300 .
C9 C10 1.388(6) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C21 C22 1.528(5) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.391(5) .
C22 C24 1.394(5) .
C23 C24 1.391(5) 2_675
C23 H23 0.9300 .
C24 C23 1.391(5) 2_675
C24 H24 0.9300 .
C25 C26 1.508(5) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.385(5) .
C26 C28 1.397(5) .
C28 C27 1.392(5) 2_476
C28 H28 0.9300 .
C27 C28 1.392(5) 2_476
C27 H27 0.9300 .
O13 H13A 0.92(7) .
O13 H13B 0.99(19) .
