#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:47:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179306 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/03/4320364.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_4320364
loop_
_publ_author_name
'Zhan Shi'
'Shouhua Feng'
'Yan Sun'
'Jia Hua'
_publ_contact_author
;
      Feng,Shouhua
      Department of Chemistry
      Jilin University
      Changchun, 130023
      P. R. China
;
_publ_contact_author_email       shfeng@mail.jlu.edu.cn
_publ_contact_author_fax         86-431-5671974
_publ_contact_author_phone       86-431-5671974
_publ_section_title
;
 Novel Coordination Polymers with Mixed Ligands and Orientated Enantiomers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5312
_journal_page_last               5313
_journal_paper_doi               10.1021/ic015518y
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C34 H58 Cu2 N6 O20'
_chemical_formula_weight         997.94
_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                90.487(2)
_cell_angle_beta                 98.530(2)
_cell_angle_gamma                101.598(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1593(8)
_cell_length_b                   11.5796(9)
_cell_length_c                   19.8628(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2484.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0772
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12263
_diffrn_reflns_theta_full        23.38
_diffrn_reflns_theta_max         23.38
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.930
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.550
_exptl_crystal_size_min          0.550
_refine_diff_density_max         0.872
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         7127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1322P)²+0.5966P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1780
_refine_ls_wR_factor_ref         0.1920
_reflns_number_gt                5626
_reflns_number_total             7127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic015518y_2.cif
_cod_data_source_block           CyDTA
_cod_database_code               4320364
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.12571(5) 0.33248(5) 0.25937(3) 0.0310(2) Uani 1 1 d . . .
Cu2 Cu 0.14623(5) 0.82715(5) 0.30117(3) 0.0366(2) Uani 1 1 d . . .
O1 O 0.1145(3) 1.1976(3) 0.33060(18) 0.0431(8) Uani 1 1 d . . .
O2 O 0.0584(4) 1.0214(3) 0.27692(18) 0.0489(9) Uani 1 1 d . . .
O3 O 0.0011(3) 0.7128(3) 0.31850(18) 0.0423(8) Uani 1 1 d . . .
O4 O -0.1723(4) 0.6869(4) 0.3641(3) 0.0752(14) Uani 1 1 d . . .
O5 O 0.2986(3) 0.9362(3) 0.28610(17) 0.0424(8) Uani 1 1 d . . .
O6 O 0.4950(4) 0.9427(4) 0.2757(2) 0.0600(11) Uani 1 1 d . . .
O7 O 0.1796(3) 0.4492(3) 0.33742(16) 0.0348(7) Uani 1 1 d . . .
O8 O 0.1946(3) 0.5984(3) 0.26687(17) 0.0399(8) Uani 1 1 d . . .
N1 N 0.0846(4) 0.2930(3) 0.1583(2) 0.0373(9) Uani 1 1 d . . .
N2 N -0.0885(4) 0.1959(3) -0.1981(2) 0.0370(9) Uani 1 1 d . . .
N3 N 0.3064(3) 0.3306(4) 0.2534(2) 0.0359(9) Uani 1 1 d . . .
N4 N 0.9438(3) 0.3343(3) 0.2603(2) 0.0333(9) Uani 1 1 d . . .
N5 N 0.2879(3) 0.7636(3) 0.37483(19) 0.0319(9) Uani 1 1 d . . .
N6 N 0.1113(3) 0.9070(3) 0.39624(19) 0.0318(9) Uani 1 1 d . . .
C1 C 0.0910(7) 0.3815(5) 0.1159(3) 0.0588(16) Uani 1 1 d . . .
H1 H 0.1156 0.4583 0.1342 0.071 Uiso 1 1 calc . . .
C2 C 0.0633(7) 0.3650(5) 0.0470(3) 0.0642(18) Uani 1 1 d . . .
H2 H 0.0727 0.4294 0.0192 0.077 Uiso 1 1 calc . . .
C3 C 0.0208(5) 0.2513(4) 0.0182(2) 0.0445(13) Uani 1 1 d . . .
C4 C 0.0139(6) 0.1609(5) 0.0620(3) 0.0544(15) Uani 1 1 d . . .
C5 C 0.0478(6) 0.1834(5) 0.1308(3) 0.0513(14) Uani 1 1 d . . .
H5 H 0.0451 0.1202 0.1595 0.062 Uiso 1 1 calc . . .
C6 C -0.0029(6) 0.2872(5) -0.1706(3) 0.0517(15) Uani 1 1 d . . .
C7 C 0.0358(6) 0.3079(5) -0.1023(3) 0.0573(16) Uani 1 1 d . . .
H7 H 0.0971 0.3733 -0.0864 0.069 Uiso 1 1 calc . . .
C8 C -0.0163(5) 0.2314(5) -0.0572(3) 0.0436(12) Uani 1 1 d . . .
C9 C -0.1053(6) 0.1357(5) -0.0849(3) 0.0546(15) Uani 1 1 d . . .
H9 H -0.1428 0.0812 -0.0564 0.065 Uiso 1 1 calc . . .
C10 C -0.1386(6) 0.1203(5) -0.1536(3) 0.0517(14) Uani 1 1 d . . .
C11 C 0.3870(5) 0.4276(5) 0.2448(3) 0.0520(14) Uani 1 1 d . . .
C12 C 0.5108(6) 0.4309(6) 0.2449(4) 0.0560(17) Uani 1 1 d . . .
C13 C 0.5579(4) 0.3310(4) 0.2540(2) 0.0355(11) Uani 1 1 d . . .
C14 C 0.4716(5) 0.2282(5) 0.2612(3) 0.0411(12) Uani 1 1 d . . .
C15 C 0.3500(4) 0.2317(4) 0.2601(3) 0.0408(12) Uani 1 1 d . . .
H15 H 0.2947 0.1614 0.2642 0.080 Uiso 1 1 calc . . .
C16 C 0.9033(5) 0.4316(5) 0.2719(3) 0.0425(13) Uani 1 1 d . . .
C17 C 0.7805(5) 0.4343(5) 0.2701(3) 0.0465(13) Uani 1 1 d . . .
C18 C 0.6906(4) 0.3314(4) 0.2557(3) 0.0373(11) Uani 1 1 d . . .
C19 C 0.7332(5) 0.2294(5) 0.2451(3) 0.0439(13) Uani 1 1 d . . .
C20 C 0.8591(4) 0.2353(4) 0.2481(3) 0.0437(13) Uani 1 1 d . . .
H20 H 0.8858 0.1656 0.2411 0.080 Uiso 1 1 calc . . .
C21 C 0.1808(5) 0.8552(4) 0.4551(2) 0.0342(11) Uani 1 1 d . . .
C22 C 0.3048(5) 0.8415(4) 0.4377(2) 0.0362(11) Uani 1 1 d . . .
C23 C 0.3841(5) 0.7989(5) 0.4992(3) 0.0504(14) Uani 1 1 d . . .
H23A H 0.3460 0.7189 0.5086 0.080 Uiso 1 1 calc . . .
H23B H 0.4656 0.7979 0.4880 0.080 Uiso 1 1 calc . . .
C24 C 0.3973(6) 0.8786(6) 0.5629(3) 0.0631(17) Uani 1 1 d . . .
H24A H 0.4481 0.8502 0.6005 0.080 Uiso 1 1 calc . . .
H24B H 0.4373 0.9584 0.5543 0.080 Uiso 1 1 calc . . .
C25 C 0.2695(7) 0.8781(6) 0.5811(3) 0.0615(17) Uani 1 1 d . . .
C26 C 0.1931(7) 0.9247(5) 0.5230(3) 0.0495(14) Uani 1 1 d . . .
C27 C 0.1444(5) 1.0361(4) 0.3955(3) 0.0360(11) Uani 1 1 d . . .
C28 C 0.1005(4) 1.0872(4) 0.3281(3) 0.0353(11) Uani 1 1 d . . .
C29 C -0.0246(5) 0.8653(4) 0.3936(3) 0.0383(11) Uani 1 1 d . . .
C30 C -0.0681(5) 0.7457(4) 0.3569(3) 0.0453(13) Uani 1 1 d . . .
C31 C 0.3977(5) 0.7924(5) 0.3412(3) 0.0398(12) Uani 1 1 d . . .
C32 C 0.3971(5) 0.8972(4) 0.2980(3) 0.0409(12) Uani 1 1 d . . .
C33 C 0.2554(5) 0.6371(4) 0.3878(3) 0.0367(11) Uani 1 1 d . . .
C34 C 0.2056(4) 0.5587(4) 0.3242(2) 0.0328(10) Uani 1 1 d . . .
O1W O 0.3527(6) 0.3084(7) 0.4287(3) 0.117(2) Uani 1 1 d . . .
O2W O 0.8372(5) 0.9382(6) 0.1898(3) 0.1077(19) Uani 1 1 d . . .
O3W O 0.8358(7) 0.4778(6) 0.4475(4) 0.125(2) Uani 1 1 d . . .
O4W O 0.6638(7) 0.7440(8) 0.4409(4) 0.138(3) Uani 1 1 d . . .
O5W O 0.0285(7) 0.3413(7) 0.4490(3) 0.124(2) Uani 1 1 d . . .
O6W O 0.5671(9) 0.4787(8) 0.4230(5) 0.176(4) Uani 1 1 d . . .
O7W O 0.4657(10) 0.0072(10) 0.1380(4) 0.179(4) Uani 1 1 d . . .
O8W O 0.6682(7) 0.8082(10) 0.2690(6) 0.201(5) Uani 1 1 d . . .
O9W O 0.3081(16) 0.6586(14) 0.1431(10) 0.158(7) Uani 0.50 1 d P . .
O10W O 0.7659(16) 0.9475(14) 0.0513(8) 0.152(7) Uani 0.50 1 d P . .
O11W O 0.3365(19) 0.1786(19) 0.0743(10) 0.184(8) Uani 0.50 1 d P . .
O12W O 0.380(2) 0.423(3) 0.0539(14) 0.264(15) Uani 0.50 1 d P . .
O13W O 0.546(3) 1.173(2) -0.0611(12) 0.243(13) Uani 0.50 1 d P . .
O14W O 0.597(3) 0.674(2) 0.1453(14) 0.294(18) Uani 0.50 1 d P . .
O15W O 0.677(2) 1.138(2) 0.0650(14) 0.227(10) Uiso 0.50 1 d P . .
O16W O 0.654(3) 0.517(2) 0.0773(14) 0.234(11) Uiso 0.50 1 d P . .
H4 H -0.001(6) 0.080(6) 0.041(3) 0.066(18) Uiso 1 1 d . . .
H6 H 0.024(4) 0.331(4) -0.196(3) 0.029(14) Uiso 1 1 d . . .
H10 H -0.208(7) 0.048(7) -0.177(4) 0.10(2) Uiso 1 1 d . . .
H11 H 0.344(5) 0.491(5) 0.234(3) 0.041(14) Uiso 1 1 d . . .
H12 H 0.559(6) 0.483(6) 0.241(3) 0.06(2) Uiso 1 1 d . . .
H14 H 0.487(4) 0.170(4) 0.265(2) 0.021(13) Uiso 1 1 d . . .
H16 H 0.963(5) 0.493(4) 0.286(2) 0.032(12) Uiso 1 1 d . . .
H17 H 0.750(5) 0.510(5) 0.273(3) 0.054(15) Uiso 1 1 d . . .
H19 H 0.678(5) 0.150(5) 0.234(3) 0.056(16) Uiso 1 1 d . . .
H21 H 0.139(4) 0.776(4) 0.458(2) 0.018(10) Uiso 1 1 d . . .
H22 H 0.344(4) 0.920(4) 0.428(2) 0.033(12) Uiso 1 1 d . . .
H25A H 0.257(7) 0.935(6) 0.614(4) 0.08(2) Uiso 1 1 d . . .
H25B H 0.221(5) 0.799(6) 0.587(3) 0.055(16) Uiso 1 1 d . . .
H26A H 0.121(6) 0.917(5) 0.534(3) 0.048(17) Uiso 1 1 d . . .
H26B H 0.246(5) 1.002(5) 0.529(3) 0.050(15) Uiso 1 1 d . . .
H27A H 0.120(6) 1.062(6) 0.433(4) 0.08(2) Uiso 1 1 d . . .
H27B H 0.238(4) 1.062(4) 0.401(2) 0.021(10) Uiso 1 1 d . . .
H29A H -0.049(4) 0.855(4) 0.444(2) 0.031(12) Uiso 1 1 d . . .
H29B H -0.070(6) 0.924(5) 0.357(3) 0.065(18) Uiso 1 1 d . . .
H31A H 0.464(5) 0.805(4) 0.365(2) 0.025(13) Uiso 1 1 d . . .
H31B H 0.393(4) 0.732(4) 0.313(2) 0.022(11) Uiso 1 1 d . . .
H33A H 0.197(5) 0.626(4) 0.420(3) 0.031(12) Uiso 1 1 d . . .
H33B H 0.309(5) 0.612(5) 0.410(3) 0.038(15) 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'
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
_geom_angle_publ_flag
O7 Cu1 N1 151.05(15) . . ?
O7 Cu1 N4 92.14(14) . 1_455 ?
N1 Cu1 N4 88.65(16) . 1_455 ?
O7 Cu1 N3 89.97(14) . . ?
N1 Cu1 N3 88.61(16) . . ?
N4 Cu1 N3 177.19(15) 1_455 . ?
O7 Cu1 O1 88.13(13) . 1_545 ?
N1 Cu1 O1 120.82(15) . 1_545 ?
N4 Cu1 O1 89.51(14) 1_455 1_545 ?
N3 Cu1 O1 92.42(15) . 1_545 ?
O3 Cu2 O5 176.67(15) . . ?
O3 Cu2 N2 90.67(15) . 2_565 ?
O5 Cu2 N2 90.80(15) . 2_565 ?
O3 Cu2 N6 80.04(14) . . ?
O5 Cu2 N6 100.44(14) . . ?
N2 Cu2 N6 144.09(15) 2_565 . ?
O3 Cu2 N5 98.09(15) . . ?
O5 Cu2 N5 78.77(14) . . ?
N2 Cu2 N5 134.64(15) 2_565 . ?
N6 Cu2 N5 81.21(14) . . ?
C28 O1 Cu1 136.1(3) . 1_565 ?
C30 O3 Cu2 117.9(3) . . ?
C32 O5 Cu2 116.1(3) . . ?
C34 O7 Cu1 117.9(3) . . ?
C1 N1 C5 117.4(4) . . ?
C1 N1 Cu1 118.2(3) . . ?
C5 N1 Cu1 124.4(3) . . ?
C6 N2 C10 115.7(5) . . ?
C6 N2 Cu2 122.6(4) . 2_565 ?
C10 N2 Cu2 121.7(3) . 2_565 ?
C11 N3 C15 116.4(4) . . ?
C11 N3 Cu1 122.0(3) . . ?
C15 N3 Cu1 121.6(3) . . ?
C20 N4 C16 116.7(4) . . ?
C20 N4 Cu1 120.1(3) . 1_655 ?
C16 N4 Cu1 123.2(3) . 1_655 ?
C31 N5 C33 112.2(4) . . ?
C31 N5 C22 109.8(4) . . ?
C33 N5 C22 113.3(4) . . ?
C31 N5 Cu2 101.9(3) . . ?
C33 N5 Cu2 113.9(3) . . ?
C22 N5 Cu2 105.0(3) . . ?
C27 N6 C29 111.2(4) . . ?
C27 N6 C21 113.9(4) . . ?
C29 N6 C21 110.5(4) . . ?
C27 N6 Cu2 110.3(3) . . ?
C29 N6 Cu2 102.6(3) . . ?
C21 N6 Cu2 107.7(3) . . ?
N1 C1 C2 123.0(5) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 119.8(5) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C3 C2 116.8(5) . . ?
C4 C3 C8 122.5(5) . . ?
C2 C3 C8 120.7(5) . . ?
C3 C4 C5 120.4(5) . . ?
C3 C4 H4 116(4) . . ?
C5 C4 H4 123(4) . . ?
N1 C5 C4 122.5(5) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
N2 C6 C7 124.6(6) . . ?
N2 C6 H6 115(4) . . ?
C7 C6 H6 120(4) . . ?
C6 C7 C8 119.6(5) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C7 C8 C9 116.6(5) . . ?
C7 C8 C3 121.8(5) . . ?
C9 C8 C3 121.6(5) . . ?
C10 C9 C8 120.5(5) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
N2 C10 C9 123.0(5) . . ?
N2 C10 H10 115(4) . . ?
C9 C10 H10 123(4) . . ?
N3 C11 C12 123.5(5) . . ?
N3 C11 H11 110(3) . . ?
C12 C11 H11 127(3) . . ?
C13 C12 C11 120.9(6) . . ?
C13 C12 H12 112(5) . . ?
C11 C12 H12 127(5) . . ?
C12 C13 C14 115.3(5) . . ?
C12 C13 C18 122.4(5) . . ?
C14 C13 C18 122.3(4) . . ?
C15 C14 C13 120.5(5) . . ?
C15 C14 H14 116(4) . . ?
C13 C14 H14 124(4) . . ?
N3 C15 C14 123.4(5) . . ?
N3 C15 H15 118.3 . . ?
C14 C15 H15 118.3 . . ?
N4 C16 C17 123.5(5) . . ?
N4 C16 H16 114(3) . . ?
C17 C16 H16 122(3) . . ?
C16 C17 C18 120.2(5) . . ?
C16 C17 H17 123(3) . . ?
C18 C17 H17 117(3) . . ?
C19 C18 C17 116.2(5) . . ?
C19 C18 C13 122.2(4) . . ?
C17 C18 C13 121.6(5) . . ?
C18 C19 C20 119.4(5) . . ?
C18 C19 H19 124(3) . . ?
C20 C19 H19 117(3) . . ?
N4 C20 C19 123.9(4) . . ?
N4 C20 H20 118.1 . . ?
C19 C20 H20 118.1 . . ?
N6 C21 C22 109.4(4) . . ?
N6 C21 C26 113.2(4) . . ?
C22 C21 C26 112.5(4) . . ?
N6 C21 H21 107(2) . . ?
C22 C21 H21 103(2) . . ?
C26 C21 H21 111(3) . . ?
N5 C22 C21 110.7(4) . . ?
N5 C22 C23 112.9(4) . . ?
C21 C22 C23 111.1(4) . . ?
N5 C22 H22 109(3) . . ?
C21 C22 H22 104(3) . . ?
C23 C22 H22 109(3) . . ?
C24 C23 C22 111.7(5) . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C25 C24 C23 109.2(5) . . ?
C25 C24 H24A 109.8 . . ?
C23 C24 H24A 109.8 . . ?
C25 C24 H24B 109.8 . . ?
C23 C24 H24B 109.8 . . ?
H24A C24 H24B 108.3 . . ?
C26 C25 C24 109.1(5) . . ?
C26 C25 H25A 93(4) . . ?
C24 C25 H25A 121(4) . . ?
C26 C25 H25B 104(3) . . ?
C24 C25 H25B 114(3) . . ?
H25A C25 H25B 112(6) . . ?
C25 C26 C21 113.4(5) . . ?
C25 C26 H26A 106(4) . . ?
C21 C26 H26A 108(4) . . ?
C25 C26 H26B 92(3) . . ?
C21 C26 H26B 118(3) . . ?
H26A C26 H26B 118(5) . . ?
N6 C27 C28 114.2(4) . . ?
N6 C27 H27A 105(4) . . ?
C28 C27 H27A 117(5) . . ?
N6 C27 H27B 109(2) . . ?
C28 C27 H27B 103(2) . . ?
H27A C27 H27B 107(5) . . ?
O2 C28 O1 126.0(5) . . ?
O2 C28 C27 120.3(4) . . ?
O1 C28 C27 113.7(4) . . ?
N6 C29 C30 110.9(4) . . ?
N6 C29 H29A 111(2) . . ?
C30 C29 H29A 107(2) . . ?
N6 C29 H29B 106(3) . . ?
C30 C29 H29B 102(3) . . ?
H29A C29 H29B 120(4) . . ?
O4 C30 O3 123.7(5) . . ?
O4 C30 C29 118.2(5) . . ?
O3 C30 C29 118.1(4) . . ?
N5 C31 C32 112.5(4) . . ?
N5 C31 H31A 117(3) . . ?
C32 C31 H31A 106(3) . . ?
N5 C31 H31B 106(3) . . ?
C32 C31 H31B 106(3) . . ?
H31A C31 H31B 109(4) . . ?
O6 C32 O5 123.4(5) . . ?
O6 C32 C31 118.4(5) . . ?
O5 C32 C31 118.3(5) . . ?
N5 C33 C34 114.2(4) . . ?
N5 C33 H33A 108(3) . . ?
C34 C33 H33A 111(3) . . ?
N5 C33 H33B 114(4) . . ?
C34 C33 H33B 110(4) . . ?
H33A C33 H33B 99(5) . . ?
O8 C34 O7 125.2(4) . . ?
O8 C34 C33 122.3(4) . . ?
O7 C34 C33 112.5(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O7 1.988(3) . ?
Cu1 N1 2.019(4) . ?
Cu1 N4 2.037(4) 1_455 ?
Cu1 N3 2.041(4) . ?
Cu1 O1 2.114(3) 1_545 ?
Cu2 O3 1.951(3) . ?
Cu2 O5 1.967(3) . ?
Cu2 N2 2.052(4) 2_565 ?
Cu2 N6 2.215(4) . ?
Cu2 N5 2.232(4) . ?
O1 C28 1.256(6) . ?
O1 Cu1 2.114(3) 1_565 ?
O2 C28 1.240(6) . ?
O3 C30 1.269(6) . ?
O4 C30 1.252(7) . ?
O5 C32 1.261(6) . ?
O6 C32 1.258(7) . ?
O7 C34 1.281(5) . ?
O8 C34 1.231(6) . ?
N1 C1 1.330(7) . ?
N1 C5 1.337(7) . ?
N2 C6 1.326(7) . ?
N2 C10 1.350(7) . ?
N2 Cu2 2.052(4) 2_565 ?
N3 C11 1.320(7) . ?
N3 C15 1.332(6) . ?
N4 C20 1.326(6) . ?
N4 C16 1.326(6) . ?
N4 Cu1 2.037(4) 1_655 ?
N5 C31 1.463(7) . ?
N5 C33 1.471(6) . ?
N5 C22 1.501(6) . ?
N6 C27 1.467(6) . ?
N6 C29 1.488(6) . ?
N6 C21 1.503(6) . ?
C1 C2 1.360(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.393(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.364(8) . ?
C3 C8 1.498(7) . ?
C4 C5 1.371(8) . ?
C4 H4 1.00(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.364(8) . ?
C6 H6 0.78(5) . ?
C7 C8 1.374(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.379(8) . ?
C9 C10 1.361(8) . ?
C9 H9 0.9300 . ?
C10 H10 1.07(8) . ?
C11 C12 1.374(8) . ?
C11 H11 0.96(5) . ?
C12 C13 1.367(8) . ?
C12 H12 0.74(7) . ?
C13 C14 1.396(7) . ?
C13 C18 1.475(7) . ?
C14 C15 1.362(7) . ?
C14 H14 0.73(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.372(7) . ?
C16 H16 0.88(5) . ?
C17 C18 1.392(7) . ?
C17 H17 1.01(6) . ?
C18 C19 1.385(7) . ?
C19 C20 1.385(7) . ?
C19 H19 1.00(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.513(7) . ?
C21 C26 1.538(7) . ?
C21 H21 0.95(4) . ?
C22 C23 1.543(7) . ?
C22 H22 0.96(5) . ?
C23 C24 1.531(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.521(10) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.502(9) . ?
C25 H25A 0.97(7) . ?
C25 H25B 0.99(6) . ?
C26 H26A 0.85(6) . ?
C26 H26B 0.96(6) . ?
C27 C28 1.522(7) . ?
C27 H27A 0.90(7) . ?
C27 H27B 1.02(5) . ?
C29 C30 1.514(7) . ?
C29 H29A 1.08(5) . ?
C29 H29B 1.13(6) . ?
C31 C32 1.493(7) . ?
C31 H31A 0.81(5) . ?
C31 H31B 0.88(5) . ?
C33 C34 1.516(7) . ?
C33 H33A 0.97(5) . ?
C33 H33B 0.79(6) . ?
