#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:55:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180455 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/24/7212410.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_7212410
loop_
_publ_author_name
'Sposato, Laura K.'
'Nettleman, Joseph A.'
'LaDuca, Robert L.'
_publ_section_title
;
 Isomer dependent self-penetrated topologies and cluster subunits in
 copper phenylenediacetate coordination polymers with flexible dipyridyl
 ligands
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2374
_journal_paper_doi               10.1039/b926914b
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C28 H29 Cu2 N2 O8'
_chemical_formula_weight         648.61
_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
_audit_update_record
;
2009-10-07 # Formatted by publCIF
;
_cell_angle_alpha                96.247(4)
_cell_angle_beta                 106.864(2)
_cell_angle_gamma                109.411(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8148(12)
_cell_length_b                   10.9124(14)
_cell_length_c                   14.4129(16)
_cell_measurement_reflns_used    19957
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      1.52
_cell_volume                     1356.8(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19957
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.621
_exptl_absorpt_correction_T_max  0.8495
_exptl_absorpt_correction_T_min  0.7178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4961
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0259
_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)+(0.0320P)²+1.0439P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0678
_reflns_number_gt                4355
_reflns_number_total             4961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b926914b.txt
_cod_data_source_block           p1b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7212410
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
Cu1 Cu 0.55608(3) 0.89143(2) 0.031329(17) 0.01423(8) Uani 1 1 d .
Cu2 Cu 0.56479(3) 1.10234(2) 0.210278(18) 0.01528(8) Uani 1 1 d .
O7 O 0.59172(17) 1.07728(14) 0.08177(10) 0.0154(3) Uani 1 1 d D
H7 H 0.684(2) 1.128(2) 0.0974(17) 0.018 Uiso 1 1 d D
O1 O 0.74464(18) 1.27256(15) 0.26033(11) 0.0248(4) Uani 1 1 d .
O1W O 1.0448(5) 1.1035(4) 0.1041(4) 0.1178(16) Uani 1 1 d D
H1WA H 1.020(6) 1.154(4) 0.141(4) 0.141 Uiso 1 1 d D
H1WB H 0.969(5) 1.025(3) 0.077(4) 0.141 Uiso 1 1 d D
O2 O 0.8810(2) 1.24404(18) 0.16590(13) 0.0354(4) Uani 1 1 d .
O3 O 0.34741(17) 0.97912(15) 0.15499(12) 0.0230(3) Uani 1 1 d .
O5 O 0.70926(17) 0.98741(15) 0.26226(11) 0.0200(3) Uani 1 1 d .
O6 O 0.74636(17) 0.89700(15) 0.12857(10) 0.0195(3) Uani 1 1 d .
O4 O 0.37617(17) 0.79710(14) 0.09156(11) 0.0197(3) Uani 1 1 d .
N1 N 0.5212(2) 0.71755(17) -0.05210(13) 0.0175(4) Uani 1 1 d .
N2 N 0.5332(2) 0.14196(18) -0.66052(13) 0.0192(4) Uani 1 1 d .
C1 C 0.9981(3) 1.4748(2) 0.40194(18) 0.0291(6) Uani 1 1 d .
C2 C 0.8854(3) 1.5101(2) 0.42331(19) 0.0320(6) Uani 1 1 d .
H2 H 0.8055 1.5173 0.3709 0.038 Uiso 1 1 calc R
C6 C 1.1124(3) 1.4653(2) 0.48007(19) 0.0334(6) Uani 1 1 d .
H6 H 1.1909 1.4414 0.4671 0.040 Uiso 1 1 calc R
C7 C 0.9916(3) 1.4407(3) 0.29601(19) 0.0385(7) Uani 1 1 d .
H7A H 1.0919 1.4382 0.2968 0.046 Uiso 1 1 calc R
H7B H 0.9759 1.5121 0.2626 0.046 Uiso 1 1 calc R
C8 C 0.8632(3) 1.3067(2) 0.23555(17) 0.0248(5) Uani 1 1 d .
C11 C 0.6097(3) 0.7142(2) -0.10681(17) 0.0220(5) Uani 1 1 d .
H11 H 0.6948 0.7934 -0.0993 0.026 Uiso 1 1 calc R
C12 C 0.5828(3) 0.6010(2) -0.17353(17) 0.0221(5) Uani 1 1 d .
H12 H 0.6470 0.6040 -0.2122 0.027 Uiso 1 1 calc R
C13 C 0.4622(3) 0.4828(2) -0.18447(15) 0.0188(5) Uani 1 1 d .
C14 C 0.3704(3) 0.4876(2) -0.12769(16) 0.0222(5) Uani 1 1 d .
H14 H 0.2855 0.4095 -0.1331 0.027 Uiso 1 1 calc R
C15 C 0.4016(3) 0.6047(2) -0.06378(16) 0.0218(5) Uani 1 1 d .
H15 H 0.3362 0.6056 -0.0266 0.026 Uiso 1 1 calc R
C16 C 0.4005(3) 0.1461(3) -0.65571(18) 0.0288(5) Uani 1 1 d .
H16 H 0.3185 0.1311 -0.7159 0.035 Uiso 1 1 calc R
C17 C 0.3789(3) 0.1714(3) -0.56638(19) 0.0323(6) Uani 1 1 d .
H17 H 0.2838 0.1753 -0.5660 0.039 Uiso 1 1 calc R
C18 C 0.4944(3) 0.1911(2) -0.47723(17) 0.0244(5) Uani 1 1 d .
C19 C 0.6311(3) 0.1886(3) -0.48343(18) 0.0308(6) Uani 1 1 d .
H19 H 0.7147 0.2028 -0.4244 0.037 Uiso 1 1 calc R
C20 C 0.6469(3) 0.1654(3) -0.57501(17) 0.0289(6) Uani 1 1 d .
H20 H 0.7430 0.1661 -0.5772 0.035 Uiso 1 1 calc R
C21 C 0.4322(3) 0.3512(2) -0.24849(16) 0.0215(5) Uani 1 1 d .
H21A H 0.3196 0.2995 -0.2741 0.026 Uiso 1 1 calc R
H21B H 0.4800 0.3016 -0.2048 0.026 Uiso 1 1 calc R
C22 C 0.4875(3) 0.3517(2) -0.33712(17) 0.0242(5) Uani 1 1 d .
H22A H 0.5973 0.4119 -0.3156 0.029 Uiso 1 1 calc R
H22B H 0.4269 0.3846 -0.3888 0.029 Uiso 1 1 calc R
C23 C 0.4675(3) 0.2093(2) -0.37990(18) 0.0292(6) Uani 1 1 d .
H23A H 0.5399 0.1830 -0.3305 0.035 Uiso 1 1 calc R
H23B H 0.3616 0.1482 -0.3894 0.035 Uiso 1 1 calc R
C31 C 0.0676(2) 0.6313(2) 0.05874(17) 0.0220(5) Uani 1 1 d .
C32 C 0.1409(3) 0.7725(2) 0.1201(2) 0.0305(6) Uani 1 1 d .
H32A H 0.1476 0.7697 0.1897 0.037 Uiso 1 1 calc R
H32B H 0.0720 0.8195 0.0951 0.037 Uiso 1 1 calc R
C33 C 0.3011(2) 0.8542(2) 0.12048(15) 0.0184(5) Uani 1 1 d .
C34 C 0.1260(3) 0.5356(2) 0.08453(18) 0.0296(6) Uani 1 1 d .
H34 H 0.2135 0.5587 0.1431 0.035 Uiso 1 1 calc R
C35 C -0.0596(3) 0.5929(2) -0.02681(19) 0.0301(6) Uani 1 1 d .
H35 H -0.1025 0.6563 -0.0465 0.036 Uiso 1 1 calc R
C41 C 0.7848(2) 0.9444(2) 0.22163(16) 0.0174(4) Uani 1 1 d .
C42 C 0.9397(3) 0.9456(3) 0.28553(16) 0.0242(5) Uani 1 1 d .
H42A H 0.9442 0.8579 0.2650 0.029 Uiso 1 1 calc R
H42B H 1.0226 1.0139 0.2718 0.029 Uiso 1 1 calc R
C43 C 0.9716(2) 0.9739(2) 0.39646(16) 0.0207(5) Uani 1 1 d .
C44 C 0.9935(3) 1.0978(2) 0.44811(17) 0.0226(5) Uani 1 1 d .
H44 H 0.9895 1.1664 0.4133 0.027 Uiso 1 1 calc R
C45 C 0.9789(3) 0.8767(2) 0.45022(17) 0.0228(5) Uani 1 1 d .
H45 H 0.9648 0.7910 0.4168 0.027 Uiso 1 1 calc R
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O7 Cu1 O6 94.80(6) . .
O7 Cu1 O7 79.00(6) . 2_675
O6 Cu1 O7 162.75(6) . 2_675
O7 Cu1 N1 165.29(7) . .
O6 Cu1 N1 92.44(7) . .
O7 Cu1 N1 90.39(6) 2_675 .
O7 Cu1 O4 97.92(6) . .
O6 Cu1 O4 104.42(6) . .
O7 Cu1 O4 92.44(6) 2_675 .
N1 Cu1 O4 92.64(7) . .
O7 Cu2 O3 92.63(6) . .
O7 Cu2 O1 91.37(6) . .
O3 Cu2 O1 158.84(7) . .
O7 Cu2 N2 175.01(7) . 1_566
O3 Cu2 N2 87.75(7) . 1_566
O1 Cu2 N2 86.53(7) . 1_566
O7 Cu2 O5 89.43(6) . .
O3 Cu2 O5 108.72(6) . .
O1 Cu2 O5 92.09(7) . .
N2 Cu2 O5 95.16(7) 1_566 .
Cu2 O7 Cu1 111.43(7) . .
Cu2 O7 Cu1 116.78(7) . 2_675
Cu1 O7 Cu1 101.00(6) . 2_675
C8 O1 Cu2 127.97(15) . .
C33 O3 Cu2 124.68(14) . .
C41 O5 Cu2 130.09(14) . .
C41 O6 Cu1 121.76(14) . .
C33 O4 Cu1 124.11(14) . .
C11 N1 C15 117.64(18) . .
C11 N1 Cu1 119.58(15) . .
C15 N1 Cu1 122.42(15) . .
C20 N2 C16 117.6(2) . .
C20 N2 Cu2 119.81(15) . 1_544
C16 N2 Cu2 122.55(16) . 1_544
C6 C1 C2 118.0(2) . .
C6 C1 C7 120.8(3) . .
C2 C1 C7 121.1(2) . .
C6 C2 C1 120.8(2) 2_786 .
C1 C6 C2 121.2(2) . 2_786
C1 C7 C8 113.3(2) . .
O2 C8 O1 125.9(2) . .
O2 C8 C7 118.4(2) . .
O1 C8 C7 115.6(2) . .
N1 C11 C12 122.8(2) . .
C11 C12 C13 120.2(2) . .
C12 C13 C14 116.5(2) . .
C12 C13 C21 124.1(2) . .
C14 C13 C21 119.3(2) . .
C15 C14 C13 120.5(2) . .
N1 C15 C14 122.4(2) . .
N2 C16 C17 122.2(2) . .
C16 C17 C18 120.6(2) . .
C19 C18 C17 116.4(2) . .
C19 C18 C23 122.7(2) . .
C17 C18 C23 120.8(2) . .
C20 C19 C18 120.2(2) . .
N2 C20 C19 122.8(2) . .
C13 C21 C22 118.75(19) . .
C21 C22 C23 108.97(18) . .
C18 C23 C22 114.63(19) . .
C35 C31 C34 117.2(2) . .
C35 C31 C32 121.0(2) . .
C34 C31 C32 121.8(2) . .
C31 C32 C33 115.77(19) . .
O4 C33 O3 125.6(2) . .
O4 C33 C32 119.75(19) . .
O3 C33 C32 114.60(19) . .
C35 C34 C31 121.3(2) 2_565 .
C31 C35 C34 121.5(2) . 2_565
O5 C41 O6 126.4(2) . .
O5 C41 C42 119.21(19) . .
O6 C41 C42 114.41(19) . .
C43 C42 C41 114.95(18) . .
C44 C43 C45 117.6(2) . .
C44 C43 C42 121.1(2) . .
C45 C43 C42 121.3(2) . .
C43 C44 C45 121.1(2) . 2_776
C43 C45 C44 121.3(2) . 2_776
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O7 1.9554(14) .
Cu1 O6 1.9604(15) .
Cu1 O7 1.9890(14) 2_675
Cu1 N1 1.9992(17) .
Cu1 O4 2.1924(15) .
Cu2 O7 1.9487(14) .
Cu2 O3 1.9668(15) .
Cu2 O1 1.9690(15) .
Cu2 N2 1.9999(18) 1_566
Cu2 O5 2.2169(15) .
O1 C8 1.266(3) .
O2 C8 1.240(3) .
O3 C33 1.273(3) .
O5 C41 1.239(3) .
O6 C41 1.279(3) .
O4 C33 1.238(3) .
N1 C11 1.338(3) .
N1 C15 1.342(3) .
N2 C20 1.332(3) .
N2 C16 1.340(3) .
N2 Cu2 1.9998(18) 1_544
C1 C6 1.381(4) .
C1 C2 1.386(4) .
C1 C7 1.510(3) .
C2 C6 1.382(4) 2_786
C6 C2 1.382(4) 2_786
C7 C8 1.532(3) .
C11 C12 1.378(3) .
C12 C13 1.386(3) .
C13 C14 1.391(3) .
C13 C21 1.508(3) .
C14 C15 1.376(3) .
C16 C17 1.378(3) .
C17 C18 1.384(4) .
C18 C19 1.380(3) .
C18 C23 1.505(3) .
C19 C20 1.379(3) .
C21 C22 1.526(3) .
C22 C23 1.534(3) .
C31 C35 1.379(3) .
C31 C34 1.385(3) .
C31 C32 1.506(3) .
C32 C33 1.527(3) .
C34 C35 1.381(3) 2_565
C35 C34 1.381(3) 2_565
C41 C42 1.527(3) .
C42 C43 1.512(3) .
C43 C44 1.387(3) .
C43 C45 1.388(3) .
C44 C45 1.389(3) 2_776
C45 C44 1.389(3) 2_776
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
O7 H7 O2 0.833(16) 1.822(17) 2.633(2) 164(2)
O1W H1WB O6 0.88(4) 2.54(5) 3.189(3) 131(4)
O1W H1WA O2 0.86(6) 2.02(3) 2.811(3) 153(5)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 Cu2 O7 Cu1 -61.44(8) . .
O1 Cu2 O7 Cu1 139.35(8) . .
O5 Cu2 O7 Cu1 47.27(7) . .
O3 Cu2 O7 Cu1 53.88(8) . 2_675
O1 Cu2 O7 Cu1 -105.33(8) . 2_675
O5 Cu2 O7 Cu1 162.59(8) . 2_675
O6 Cu1 O7 Cu2 -71.55(8) . .
O7 Cu1 O7 Cu2 124.71(10) 2_675 .
N1 Cu1 O7 Cu2 169.2(2) . .
O4 Cu1 O7 Cu2 33.75(8) . .
Cu1 Cu1 O7 Cu2 124.71(10) 2_675 .
O6 Cu1 O7 Cu1 163.74(7) . 2_675
O7 Cu1 O7 Cu1 0.0 2_675 2_675
N1 Cu1 O7 Cu1 44.5(3) . 2_675
O4 Cu1 O7 Cu1 -90.96(7) . 2_675
O7 Cu2 O1 C8 -29.4(2) . .
O3 Cu2 O1 C8 -130.3(2) . .
N2 Cu2 O1 C8 155.1(2) 1_566 .
O5 Cu2 O1 C8 60.1(2) . .
O7 Cu2 O3 C33 66.23(17) . .
O1 Cu2 O3 C33 166.88(17) . .
N2 Cu2 O3 C33 -118.75(18) 1_566 .
O5 Cu2 O3 C33 -24.06(18) . .
O7 Cu2 O5 C41 7.18(18) . .
O3 Cu2 O5 C41 99.76(18) . .
O1 Cu2 O5 C41 -84.17(18) . .
N2 Cu2 O5 C41 -170.87(18) 1_566 .
O7 Cu1 O6 C41 48.65(16) . .
O7 Cu1 O6 C41 116.6(2) 2_675 .
N1 Cu1 O6 C41 -144.16(16) . .
O4 Cu1 O6 C41 -50.80(16) . .
Cu1 Cu1 O6 C41 62.80(17) 2_675 .
O7 Cu1 O4 C33 17.58(17) . .
O6 Cu1 O4 C33 114.64(16) . .
O7 Cu1 O4 C33 -61.65(17) 2_675 .
N1 Cu1 O4 C33 -152.16(17) . .
Cu1 Cu1 O4 C33 -22.65(16) 2_675 .
O7 Cu1 N1 C11 46.3(3) . .
O6 Cu1 N1 C11 -73.17(17) . .
O7 Cu1 N1 C11 89.80(16) 2_675 .
O4 Cu1 N1 C11 -177.74(16) . .
Cu1 Cu1 N1 C11 81.52(17) 2_675 .
O7 Cu1 N1 C15 -126.7(3) . .
O6 Cu1 N1 C15 113.84(17) . .
O7 Cu1 N1 C15 -83.19(17) 2_675 .
O4 Cu1 N1 C15 9.27(17) . .
Cu1 Cu1 N1 C15 -91.47(17) 2_675 .
C6 C1 C2 C6 -0.1(4) . 2_786
C7 C1 C2 C6 176.7(2) . 2_786
C2 C1 C6 C2 0.1(4) . 2_786
C7 C1 C6 C2 -176.8(2) . 2_786
C6 C1 C7 C8 105.6(3) . .
C2 C1 C7 C8 -71.1(3) . .
Cu2 O1 C8 O2 8.8(4) . .
Cu2 O1 C8 C7 -173.75(17) . .
C1 C7 C8 O2 -152.1(2) . .
C1 C7 C8 O1 30.2(3) . .
C15 N1 C11 C12 0.0(3) . .
Cu1 N1 C11 C12 -173.30(17) . .
N1 C11 C12 C13 -1.7(4) . .
C11 C12 C13 C14 2.0(3) . .
C11 C12 C13 C21 -174.3(2) . .
C12 C13 C14 C15 -0.7(3) . .
C21 C13 C14 C15 175.8(2) . .
C11 N1 C15 C14 1.3(3) . .
Cu1 N1 C15 C14 174.44(17) . .
C13 C14 C15 N1 -1.0(4) . .
C20 N2 C16 C17 -1.0(4) . .
Cu2 N2 C16 C17 178.94(19) 1_544 .
N2 C16 C17 C18 -1.3(4) . .
C16 C17 C18 C19 2.2(4) . .
C16 C17 C18 C23 -175.8(2) . .
C17 C18 C19 C20 -0.9(4) . .
C23 C18 C19 C20 177.0(2) . .
C16 N2 C20 C19 2.4(4) . .
Cu2 N2 C20 C19 -177.6(2) 1_544 .
C18 C19 C20 N2 -1.4(4) . .
C12 C13 C21 C22 -26.3(3) . .
C14 C13 C21 C22 157.4(2) . .
C13 C21 C22 C23 171.0(2) . .
C19 C18 C23 C22 99.5(3) . .
C17 C18 C23 C22 -82.7(3) . .
C21 C22 C23 C18 171.0(2) . .
C35 C31 C32 C33 -111.6(3) . .
C34 C31 C32 C33 67.3(3) . .
Cu1 O4 C33 O3 -27.8(3) . .
Cu1 O4 C33 C32 154.66(17) . .
Cu2 O3 C33 O4 -20.6(3) . .
Cu2 O3 C33 C32 157.07(16) . .
C31 C32 C33 O4 -16.0(3) . .
C31 C32 C33 O3 166.2(2) . .
C35 C31 C34 C35 0.1(4) . 2_565
C32 C31 C34 C35 -178.8(2) . 2_565
C34 C31 C35 C34 -0.1(4) . 2_565
C32 C31 C35 C34 178.8(2) . 2_565
Cu2 O5 C41 O6 -37.0(3) . .
Cu2 O5 C41 C42 143.12(17) . .
Cu1 O6 C41 O5 2.4(3) . .
Cu1 O6 C41 C42 -177.69(14) . .
O5 C41 C42 C43 12.1(3) . .
O6 C41 C42 C43 -167.83(19) . .
C41 C42 C43 C44 -67.2(3) . .
C41 C42 C43 C45 112.3(2) . .
C45 C43 C44 C45 -0.2(4) . 2_776
C42 C43 C44 C45 179.3(2) . 2_776
C44 C43 C45 C44 0.2(4) . 2_776
C42 C43 C45 C44 -179.3(2) . 2_776
