#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/21/7052134.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_7052134
loop_
_publ_author_name
'Boiocchi, Massimo'
'Bonizzoni, Marco'
'Moletti, Alberto'
'Pasini, Dario'
'Taglietti, Angelo'
_publ_section_title
;
 Linear recognition of dicarboxylates by ditopic macrocyclic complexes
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              352
_journal_paper_doi               10.1039/b616492g
_journal_volume                  31
_journal_year                    2007
_chemical_formula_moiety
'C36 H50 Cu2 N6 O2, (C4 H10 O), 4(N O3), 1.5(H2 O)'
_chemical_formula_sum            'C40 H63 Cu2 N10 O16.5'
_chemical_formula_weight         1075.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.430(4)
_cell_length_b                   11.8649(17)
_cell_length_c                   16.688(2)
_cell_measurement_reflns_used    4653
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11
_cell_measurement_theta_min      2
_cell_volume                     5035.2(12)
_computing_cell_refinement       'SAINT (Bruker-Axs Inc)'
_computing_data_collection       'SMART (Bruker-Axs Inc)'
_computing_data_reduction        'SAINT (Bruker-Axs Inc)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker-Axs Smart-Apex CCD'
_diffrn_measurement_method       'omega scan'
_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  0.0673
_diffrn_reflns_av_sigmaI/netI    0.0680
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            33235
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         0.80
_exptl_absorpt_coefficient_mu    0.921
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2252
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.140(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         9186
_refine_ls_number_restraints     88
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0990P)²+0.2892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1447
_refine_ls_wR_factor_ref         0.1708
_reflns_number_gt                6083
_reflns_number_total             9186
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616492g.txt
_cod_data_source_block           mol5m
_cod_original_formula_sum        'C40 H63 Cu2 N10 O16.50'
_cod_database_code               7052134
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, z'
'x, -y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.62146(3) 0.03764(7) 0.36418(4) 0.0567(2) Uani 1 1 d . . .
Cu2 Cu 0.87543(3) 0.17436(6) 0.15305(4) 0.0531(2) Uani 1 1 d . . .
N1 N 0.6187(2) -0.1308(5) 0.3411(3) 0.0598(15) Uani 1 1 d . . .
H1 H 0.6531 -0.1499 0.3348 0.072 Uiso 1 1 calc R . .
C1 C 0.6037(3) -0.1886(6) 0.4140(5) 0.0693(19) Uani 1 1 d . . .
H1A H 0.6134 -0.2675 0.4106 0.083 Uiso 1 1 calc R . .
H1B H 0.5659 -0.1841 0.4213 0.083 Uiso 1 1 calc R . .
C2 C 0.6316(3) -0.1334(6) 0.4844(5) 0.077(2) Uani 1 1 d . . .
H2A H 0.6181 -0.1631 0.5345 0.093 Uiso 1 1 calc R . .
H2B H 0.6690 -0.1487 0.4819 0.093 Uiso 1 1 calc R . .
N2 N 0.6219(2) -0.0109(5) 0.4797(4) 0.0699(17) Uani 1 1 d . . .
H2 H 0.5892 0.0022 0.4998 0.084 Uiso 1 1 calc R . .
C3 C 0.6586(4) 0.0632(7) 0.5224(5) 0.082(2) Uani 1 1 d . . .
H3A H 0.6946 0.0428 0.5098 0.098 Uiso 1 1 calc R . .
H3B H 0.6536 0.0564 0.5798 0.098 Uiso 1 1 calc R . .
C4 C 0.6477(4) 0.1804(6) 0.4960(5) 0.090(3) Uani 1 1 d . . .
H4A H 0.6726 0.2320 0.5202 0.108 Uiso 1 1 calc R . .
H4B H 0.6125 0.2025 0.5120 0.108 Uiso 1 1 calc R . .
N3 N 0.6525(2) 0.1838(4) 0.4067(3) 0.0600(15) Uani 1 1 d . . .
H3 H 0.6875 0.1823 0.3952 0.072 Uiso 1 1 calc R . .
C5 C 0.6316(3) 0.2918(6) 0.3738(5) 0.0657(19) Uani 1 1 d . . .
H5A H 0.5950 0.2992 0.3895 0.079 Uiso 1 1 calc R . .
H5B H 0.6328 0.2885 0.3158 0.079 Uiso 1 1 calc R . .
C6 C 0.6613(3) 0.3959(5) 0.4016(4) 0.0567(16) Uani 1 1 d . . .
C7 C 0.7075(2) 0.4244(5) 0.3647(4) 0.0554(15) Uani 1 1 d . . .
H7 H 0.7205 0.3776 0.3247 0.066 Uiso 1 1 calc R . .
C8 C 0.7355(2) 0.5208(5) 0.3850(4) 0.0514(16) Uani 1 1 d . . .
C9 C 0.7154(3) 0.5892(6) 0.4457(4) 0.0594(18) Uani 1 1 d . . .
H9 H 0.7333 0.6541 0.4610 0.071 Uiso 1 1 calc R . .
C10 C 0.6688(3) 0.5599(6) 0.4830(5) 0.069(2) Uani 1 1 d . . .
H10 H 0.6554 0.6056 0.5235 0.083 Uiso 1 1 calc R . .
C11 C 0.6421(3) 0.4650(6) 0.4613(5) 0.068(2) Uani 1 1 d . . .
H11 H 0.6108 0.4467 0.4869 0.082 Uiso 1 1 calc R . .
C12 C 0.7863(3) 0.5478(5) 0.3465(4) 0.0501(16) Uani 1 1 d . . .
C13 C 0.8205(3) 0.4603(5) 0.3226(4) 0.0589(17) Uani 1 1 d . . .
H13 H 0.8103 0.3859 0.3307 0.071 Uiso 1 1 calc R . .
C14 C 0.8694(3) 0.4824(6) 0.2867(4) 0.0597(17) Uani 1 1 d . . .
C15 C 0.8856(3) 0.5928(6) 0.2797(4) 0.0663(19) Uani 1 1 d . . .
H15 H 0.9184 0.6099 0.2581 0.080 Uiso 1 1 calc R . .
C16 C 0.8519(3) 0.6790(5) 0.3058(5) 0.064(2) Uani 1 1 d . . .
H16 H 0.8631 0.7533 0.3021 0.077 Uiso 1 1 calc R . .
C17 C 0.8040(3) 0.6580(5) 0.3360(4) 0.0558(17) Uani 1 1 d . . .
H17 H 0.7822 0.7178 0.3502 0.067 Uiso 1 1 calc R . .
C18 C 0.9003(3) 0.3860(6) 0.2562(4) 0.0596(16) Uani 1 1 d . . .
H18A H 0.9016 0.3276 0.2968 0.072 Uiso 1 1 calc R . .
H18B H 0.9360 0.4104 0.2455 0.072 Uiso 1 1 calc R . .
N4 N 0.8769(2) 0.3387(4) 0.1812(3) 0.0587(14) Uani 1 1 d . . .
H4 H 0.8422 0.3561 0.1863 0.070 Uiso 1 1 calc R . .
C19 C 0.8927(3) 0.4013(6) 0.1072(4) 0.0672(19) Uani 1 1 d . . .
H19A H 0.8826 0.4799 0.1116 0.081 Uiso 1 1 calc R . .
H19B H 0.9305 0.3974 0.0999 0.081 Uiso 1 1 calc R . .
C20 C 0.8656(3) 0.3484(6) 0.0380(4) 0.066(2) Uani 1 1 d . . .
H20A H 0.8280 0.3619 0.0413 0.079 Uiso 1 1 calc R . .
H20B H 0.8785 0.3803 -0.0118 0.079 Uiso 1 1 calc R . .
N5 N 0.8764(2) 0.2264(4) 0.0405(3) 0.0558(14) Uani 1 1 d . . .
H5 H 0.9092 0.2146 0.0204 0.067 Uiso 1 1 calc R . .
C21 C 0.8386(3) 0.1566(5) -0.0063(4) 0.0647(19) Uani 1 1 d . . .
H21A H 0.8448 0.1646 -0.0634 0.078 Uiso 1 1 calc R . .
H21B H 0.8026 0.1786 0.0053 0.078 Uiso 1 1 calc R . .
C22 C 0.8487(3) 0.0366(6) 0.0205(4) 0.068(2) Uani 1 1 d . . .
H22A H 0.8233 -0.0137 -0.0042 0.081 Uiso 1 1 calc R . .
H22B H 0.8836 0.0133 0.0042 0.081 Uiso 1 1 calc R . .
N6 N 0.84397(19) 0.0307(4) 0.1086(3) 0.0490(13) Uani 1 1 d . . .
H6 H 0.8090 0.0324 0.1202 0.059 Uiso 1 1 calc R . .
C23 C 0.8645(3) -0.0778(5) 0.1399(4) 0.0587(17) Uani 1 1 d . . .
H23A H 0.8641 -0.0756 0.1980 0.070 Uiso 1 1 calc R . .
H23B H 0.9008 -0.0864 0.1229 0.070 Uiso 1 1 calc R . .
C24 C 0.8333(3) -0.1795(5) 0.1118(4) 0.0538(16) Uani 1 1 d . . .
C25 C 0.7865(2) -0.2073(5) 0.1490(4) 0.0530(15) Uani 1 1 d . . .
H25 H 0.7742 -0.1610 0.1899 0.064 Uiso 1 1 calc R . .
C26 C 0.7572(3) -0.3009(5) 0.1280(4) 0.0563(17) Uani 1 1 d . . .
C27 C 0.7769(3) -0.3676(6) 0.0649(4) 0.0645(18) Uani 1 1 d . . .
H27 H 0.7586 -0.4316 0.0490 0.077 Uiso 1 1 calc R . .
C28 C 0.8224(4) -0.3392(6) 0.0269(5) 0.074(2) Uani 1 1 d . . .
H28 H 0.8343 -0.3835 -0.0153 0.089 Uiso 1 1 calc R . .
C29 C 0.8511(3) -0.2456(6) 0.0499(4) 0.0630(18) Uani 1 1 d . . .
H29 H 0.8823 -0.2276 0.0237 0.076 Uiso 1 1 calc R . .
C30 C 0.7070(3) -0.3329(5) 0.1680(4) 0.0533(16) Uani 1 1 d U . .
C31 C 0.6747(3) -0.2485(5) 0.1993(4) 0.0570(17) Uani 1 1 d . . .
H31 H 0.6855 -0.1737 0.1965 0.068 Uiso 1 1 calc R . .
C32 C 0.6270(3) -0.2746(6) 0.2344(4) 0.0615(18) Uani 1 1 d . . .
C33 C 0.6111(3) -0.3857(6) 0.2385(5) 0.070(2) Uani 1 1 d . . .
H33 H 0.5786 -0.4038 0.2608 0.084 Uiso 1 1 calc R . .
C34 C 0.6433(3) -0.4697(6) 0.2096(5) 0.067(2) Uani 1 1 d . . .
H34 H 0.6330 -0.5447 0.2136 0.081 Uiso 1 1 calc R . .
C35 C 0.6903(3) -0.4430(6) 0.1752(4) 0.0655(19) Uani 1 1 d . . .
H35 H 0.7117 -0.5006 0.1560 0.079 Uiso 1 1 calc R . .
C36 C 0.5928(3) -0.1788(6) 0.2685(5) 0.072(2) Uani 1 1 d . . .
H36A H 0.5884 -0.1204 0.2284 0.087 Uiso 1 1 calc R . .
H36B H 0.5583 -0.2077 0.2824 0.087 Uiso 1 1 calc R . .
O1W O 0.6239(2) 0.0781(6) 0.2479(3) 0.0839(16) Uani 1 1 d D . .
H1WA H 0.6534(15) 0.118(6) 0.238(4) 0.101 Uiso 1 1 d D . .
H1WB H 0.6003(19) 0.100(6) 0.211(4) 0.101 Uiso 1 1 d D . .
O2W O 0.8711(2) 0.1320(5) 0.2676(3) 0.0726(14) Uani 1 1 d D . .
H2WA H 0.8412(15) 0.109(4) 0.292(4) 0.087 Uiso 1 1 d D . .
H2WB H 0.8907(17) 0.069(3) 0.263(3) 0.087 Uiso 1 1 d D . .
N7 N 0.5000 0.0644(8) 0.3721(7) 0.072(2) Uani 1 2 d S . .
O3 O 0.54147(19) 0.1180(5) 0.3746(5) 0.1007(19) Uani 1 1 d . . .
O4 O 0.5000 -0.0345(8) 0.3629(9) 0.123(4) Uani 1 2 d S . .
N8 N 1.0000 0.1421(7) 0.1535(6) 0.063(2) Uani 1 2 d S . .
O5 O 0.95770(19) 0.0965(4) 0.1333(3) 0.0817(15) Uani 1 1 d . . .
O6 O 1.0000 0.2287(8) 0.1938(6) 0.107(3) Uani 1 2 d S . .
N9 N 0.7305(3) 0.2028(6) 0.1635(4) 0.0737(16) Uani 1 1 d . . .
O7 O 0.7692(2) 0.2575(5) 0.1509(5) 0.110(2) Uani 1 1 d . . .
O8 O 0.7304(2) 0.0976(6) 0.1523(5) 0.118(2) Uani 1 1 d . . .
O9 O 0.6902(2) 0.2434(5) 0.1874(4) 0.106(2) Uani 1 1 d . . .
N10 N 0.7625(3) 0.0132(7) 0.3434(4) 0.0749(18) Uani 1 1 d . . .
O10 O 0.8022(2) -0.0353(5) 0.3175(4) 0.0937(17) Uani 1 1 d D . .
O11 O 0.7242(2) -0.0403(6) 0.3639(5) 0.112(2) Uani 1 1 d . . .
O12 O 0.7631(2) 0.1163(5) 0.3504(5) 0.106(2) Uani 1 1 d . . .
N12 N 1.0000 0.2263(9) -0.0631(6) 0.094(3) Uani 1 2 d S . .
O15 O 0.9568(3) 0.1930(6) -0.0904(4) 0.120(2) Uani 1 1 d . . .
O16 O 1.0000 0.2895(10) -0.0026(6) 0.127(3) Uani 1 2 d S . .
N11 N 0.5000 -0.0420(16) 0.6184(10) 0.23(2) Uani 1 2 d S . .
O13 O 0.5000 -0.0364(17) 0.5547(19) 0.241(9) Uani 1 2 d S . .
O14 O 0.4659(7) -0.0526(14) 0.6535(14) 0.326(11) Uani 1 1 d . . .
O17 O 1.0000 0.6984(7) 0.0534(5) 0.104(3) Uani 1 2 d SDU . .
C37 C 1.0000 0.6039(14) -0.0052(12) 0.192(10) Uani 1 2 d SDU . .
H37A H 1.0305 0.5583 0.0078 0.230 Uiso 1 1 d R . .
C38 C 1.0000 0.614(2) -0.0816(12) 0.255(15) Uani 1 2 d SDU . .
H38A H 1.0000 0.5406 -0.1056 0.382 Uiso 1 2 d SR . .
H38B H 1.0308 0.6545 -0.0983 0.382 Uiso 1 1 d R . .
C39 C 1.0000 0.6763(14) 0.1317(8) 0.147(7) Uani 1 2 d SDU . .
H39A H 1.0307 0.6304 0.1431 0.177 Uiso 1 1 d R . .
C40 C 1.0000 0.7628(12) 0.1835(8) 0.099(4) Uani 1 2 d SD . .
H40A H 1.0000 0.7343 0.2373 0.149 Uiso 1 2 d SR . .
H40B H 1.0308 0.8080 0.1751 0.149 Uiso 1 1 d R . .
O18 O 0.5000 0.456(3) 0.531(2) 0.44(3) Uani 1 2 d SDU . .
C41 C 0.5000 0.583(3) 0.543(3) 0.43(4) Uani 1 2 d SDU . .
H41A H 0.4693 0.6031 0.5749 0.519 Uiso 1 1 d R . .
C42 C 0.5000 0.641(5) 0.478(4) 0.66(6) Uani 1 2 d SDU . .
H42A H 0.5000 0.7198 0.4919 0.997 Uiso 1 2 d SR . .
H42B H 0.4692 0.6247 0.4467 0.997 Uiso 1 1 d R . .
C43 C 0.5000 0.394(3) 0.598(2) 0.35(3) Uani 1 2 d SDU . .
H43A H 0.4693 0.4157 0.6288 0.419 Uiso 1 1 d R . .
C44 C 0.5000 0.283(2) 0.591(2) 0.283(19) Uani 1 2 d SDU . .
H44A H 0.5000 0.2503 0.6435 0.424 Uiso 1 2 d SR . .
H44B H 0.4692 0.2594 0.5624 0.424 Uiso 1 1 d R . .
O19W O 0.9443(3) 0.0102(10) 0.3362(9) 0.222(6) Uani 1 1 d DU . .
O20W O 1.0000 0.0773(10) 0.4999(7) 0.179(6) Uani 1 2 d SU . .
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'
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
_geom_angle_publ_flag
O1W Cu1 N2 176.6(3) . . ?
O1W Cu1 N3 97.0(2) . . ?
N2 Cu1 N3 84.7(2) . . ?
O1W Cu1 N1 93.1(2) . . ?
N2 Cu1 N1 84.3(2) . . ?
N3 Cu1 N1 156.4(2) . . ?
O1W Cu1 O3 90.0(3) . . ?
N2 Cu1 O3 93.0(3) . . ?
N3 Cu1 O3 87.9(2) . . ?
N1 Cu1 O3 113.4(2) . . ?
N5 Cu2 O2W 175.7(2) . . ?
N5 Cu2 N4 85.3(2) . . ?
O2W Cu2 N4 91.2(2) . . ?
N5 Cu2 N6 85.4(2) . . ?
O2W Cu2 N6 96.8(2) . . ?
N4 Cu2 N6 155.8(2) . . ?
N5 Cu2 O5 88.8(2) . . ?
O2W Cu2 O5 94.9(2) . . ?
N4 Cu2 O5 113.9(2) . . ?
N6 Cu2 O5 88.23(19) . . ?
C1 N1 C36 112.7(5) . . ?
C1 N1 Cu1 108.4(4) . . ?
C36 N1 Cu1 122.9(4) . . ?
C1 N1 H1 103.5 . . ?
C36 N1 H1 103.5 . . ?
Cu1 N1 H1 103.5 . . ?
N1 C1 C2 108.8(6) . . ?
N1 C1 H1A 109.9 . . ?
C2 C1 H1A 109.9 . . ?
N1 C1 H1B 109.9 . . ?
C2 C1 H1B 109.9 . . ?
H1A C1 H1B 108.3 . . ?
N2 C2 C1 107.7(6) . . ?
N2 C2 H2A 110.2 . . ?
C1 C2 H2A 110.2 . . ?
N2 C2 H2B 110.2 . . ?
C1 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
C3 N2 C2 117.2(6) . . ?
C3 N2 Cu1 107.3(5) . . ?
C2 N2 Cu1 109.5(5) . . ?
C3 N2 H2 107.5 . . ?
C2 N2 H2 107.5 . . ?
Cu1 N2 H2 107.5 . . ?
N2 C3 C4 107.2(7) . . ?
N2 C3 H3A 110.3 . . ?
C4 C3 H3A 110.3 . . ?
N2 C3 H3B 110.3 . . ?
C4 C3 H3B 110.3 . . ?
H3A C3 H3B 108.5 . . ?
C3 C4 N3 107.8(7) . . ?
C3 C4 H4A 110.2 . . ?
N3 C4 H4A 110.2 . . ?
C3 C4 H4B 110.2 . . ?
N3 C4 H4B 110.2 . . ?
H4A C4 H4B 108.5 . . ?
C5 N3 C4 111.1(6) . . ?
C5 N3 Cu1 117.7(4) . . ?
C4 N3 Cu1 107.0(4) . . ?
C5 N3 H3 106.8 . . ?
C4 N3 H3 106.8 . . ?
Cu1 N3 H3 106.8 . . ?
N3 C5 C6 114.1(6) . . ?
N3 C5 H5A 108.7 . . ?
C6 C5 H5A 108.7 . . ?
N3 C5 H5B 108.7 . . ?
C6 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C7 C6 C11 118.8(6) . . ?
C7 C6 C5 119.3(6) . . ?
C11 C6 C5 121.8(7) . . ?
C6 C7 C8 122.3(6) . . ?
C6 C7 H7 118.9 . . ?
C8 C7 H7 118.9 . . ?
C7 C8 C9 117.9(6) . . ?
C7 C8 C12 121.4(6) . . ?
C9 C8 C12 120.7(6) . . ?
C10 C9 C8 119.6(7) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C11 C10 C9 120.9(7) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C6 120.5(7) . . ?
C10 C11 H11 119.8 . . ?
C6 C11 H11 119.8 . . ?
C17 C12 C13 117.1(6) . . ?
C17 C12 C8 122.6(6) . . ?
C13 C12 C8 120.1(5) . . ?
C14 C13 C12 121.9(6) . . ?
C14 C13 H13 119.0 . . ?
C12 C13 H13 119.0 . . ?
C15 C14 C13 118.6(7) . . ?
C15 C14 C18 123.1(7) . . ?
C13 C14 C18 118.2(6) . . ?
C14 C15 C16 118.8(7) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C17 C16 C15 122.5(6) . . ?
C17 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C16 C17 C12 120.9(6) . . ?
C16 C17 H17 119.6 . . ?
C12 C17 H17 119.6 . . ?
C14 C18 N4 111.6(6) . . ?
C14 C18 H18A 109.3 . . ?
N4 C18 H18A 109.3 . . ?
C14 C18 H18B 109.3 . . ?
N4 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C18 N4 C19 113.5(5) . . ?
C18 N4 Cu2 124.7(4) . . ?
C19 N4 Cu2 107.1(4) . . ?
C18 N4 H4 102.9 . . ?
C19 N4 H4 102.9 . . ?
Cu2 N4 H4 102.9 . . ?
C20 C19 N4 108.0(5) . . ?
C20 C19 H19A 110.1 . . ?
N4 C19 H19A 110.1 . . ?
C20 C19 H19B 110.1 . . ?
N4 C19 H19B 110.1 . . ?
H19A C19 H19B 108.4 . . ?
N5 C20 C19 107.9(6) . . ?
N5 C20 H20A 110.1 . . ?
C19 C20 H20A 110.1 . . ?
N5 C20 H20B 110.1 . . ?
C19 C20 H20B 110.1 . . ?
H20A C20 H20B 108.4 . . ?
C20 N5 C21 114.3(5) . . ?
C20 N5 Cu2 109.3(4) . . ?
C21 N5 Cu2 108.4(4) . . ?
C20 N5 H5 108.2 . . ?
C21 N5 H5 108.2 . . ?
Cu2 N5 H5 108.2 . . ?
N5 C21 C22 105.0(5) . . ?
N5 C21 H21A 110.8 . . ?
C22 C21 H21A 110.8 . . ?
N5 C21 H21B 110.8 . . ?
C22 C21 H21B 110.8 . . ?
H21A C21 H21B 108.8 . . ?
N6 C22 C21 108.9(6) . . ?
N6 C22 H22A 109.9 . . ?
C21 C22 H22A 109.9 . . ?
N6 C22 H22B 109.9 . . ?
C21 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C22 N6 C23 111.2(5) . . ?
C22 N6 Cu2 107.0(4) . . ?
C23 N6 Cu2 117.5(4) . . ?
C22 N6 H6 106.8 . . ?
C23 N6 H6 106.8 . . ?
Cu2 N6 H6 106.8 . . ?
N6 C23 C24 113.4(5) . . ?
N6 C23 H23A 108.9 . . ?
C24 C23 H23A 108.9 . . ?
N6 C23 H23B 108.9 . . ?
C24 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C29 C24 C25 119.0(6) . . ?
C29 C24 C23 120.9(6) . . ?
C25 C24 C23 120.1(6) . . ?
C24 C25 C26 122.8(6) . . ?
C24 C25 H25 118.6 . . ?
C26 C25 H25 118.6 . . ?
C25 C26 C27 116.7(7) . . ?
C25 C26 C30 123.5(6) . . ?
C27 C26 C30 119.8(6) . . ?
C28 C27 C26 120.7(6) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 121.2(7) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 H28 119.4 . . ?
C24 C29 C28 119.5(7) . . ?
C24 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C35 C30 C31 117.8(6) . . ?
C35 C30 C26 122.9(6) . . ?
C31 C30 C26 119.3(6) . . ?
C32 C31 C30 120.9(6) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C33 C32 C31 119.5(7) . . ?
C33 C32 C36 121.4(7) . . ?
C31 C32 C36 119.1(6) . . ?
C34 C33 C32 119.9(7) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C35 C34 C33 120.1(7) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C30 121.8(7) . . ?
C34 C35 H35 119.1 . . ?
C30 C35 H35 119.1 . . ?
N1 C36 C32 109.4(6) . . ?
N1 C36 H36A 109.8 . . ?
C32 C36 H36A 109.8 . . ?
N1 C36 H36B 109.8 . . ?
C32 C36 H36B 109.8 . . ?
H36A C36 H36B 108.2 . . ?
Cu1 O1W H1WA 110(5) . . ?
Cu1 O1W H1WB 136(5) . . ?
H1WA O1W H1WB 106(6) . . ?
Cu2 O2W H2WA 124(5) . . ?
Cu2 O2W H2WB 95(3) . . ?
H2WA O2W H2WB 104(2) . . ?
O4 N7 O3 121.0(5) . . ?
O4 N7 O3 121.0(5) . 3_655 ?
O3 N7 O3 117.8(9) . 3_655 ?
N7 O3 Cu1 123.5(5) . . ?
O6 N8 O5 120.6(5) . . ?
O6 N8 O5 120.6(5) . 3_755 ?
O5 N8 O5 118.7(9) . 3_755 ?
N8 O5 Cu2 124.6(5) . . ?
O7 N9 O9 122.8(7) . . ?
O7 N9 O8 120.8(7) . . ?
O9 N9 O8 116.4(7) . . ?
O11 N10 O12 120.2(8) . . ?
O11 N10 O10 120.7(8) . . ?
O12 N10 O10 119.1(7) . . ?
O15 N12 O15 122.5(11) . 3_755 ?
O15 N12 O16 118.7(5) . . ?
O15 N12 O16 118.7(5) 3_755 . ?
O14 N11 O14 111(3) 3_655 . ?
O14 N11 O13 124.1(16) 3_655 . ?
O14 N11 O13 124.1(16) . . ?
C39 O17 C37 119.8(12) . . ?
C38 C37 O17 126(2) . . ?
C38 C37 H37A 106.0 . . ?
O17 C37 H37A 105.9 . . ?
C37 C38 H38A 109.1 . . ?
C37 C38 H38B 109.6 . . ?
H38A C38 H38B 109.5 . . ?
O17 C39 C40 118.8(13) . . ?
O17 C39 H39A 107.6 . . ?
C40 C39 H39A 107.6 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C43 O18 C41 116(3) . . ?
C42 C41 O18 114(4) . . ?
C42 C41 H41A 109.2 . . ?
O18 C41 H41A 108.2 . . ?
C41 C42 H42A 107.8 . . ?
C41 C42 H42B 110.3 . . ?
H42A C42 H42B 109.5 . . ?
C44 C43 O18 118(3) . . ?
C44 C43 H43A 107.9 . . ?
O18 C43 H43A 107.5 . . ?
C43 C44 H44A 109.1 . . ?
C43 C44 H44B 109.7 . . ?
H44A C44 H44B 109.5 . . ?
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 O1W 2.000(5) . ?
Cu1 N2 2.011(6) . ?
Cu1 N3 2.033(5) . ?
Cu1 N1 2.037(6) . ?
Cu1 O3 2.253(5) . ?
Cu2 N5 1.978(5) . ?
Cu2 O2W 1.980(5) . ?
Cu2 N4 2.007(5) . ?
Cu2 N6 2.024(5) . ?
Cu2 O5 2.310(5) . ?
N1 C1 1.447(9) . ?
N1 C36 1.492(9) . ?
N1 H1 0.9100 . ?
C1 C2 1.521(11) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 N2 1.477(9) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
N2 C3 1.467(10) . ?
N2 H2 0.9100 . ?
C3 C4 1.486(11) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 N3 1.496(10) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
N3 C5 1.492(9) . ?
N3 H3 0.9100 . ?
C5 C6 1.521(9) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.368(9) . ?
C6 C11 1.379(10) . ?
C7 C8 1.390(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.394(9) . ?
C8 C12 1.478(9) . ?
C9 C10 1.385(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.363(10) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C17 1.393(8) . ?
C12 C13 1.411(9) . ?
C13 C14 1.404(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.378(10) . ?
C14 C18 1.479(10) . ?
C15 C16 1.404(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.342(10) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 N4 1.494(8) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
N4 C19 1.497(9) . ?
N4 H4 0.9100 . ?
C19 C20 1.483(10) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 N5 1.473(8) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
N5 C21 1.491(8) . ?
N5 H5 0.9100 . ?
C21 C22 1.515(10) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 N6 1.477(9) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
N6 C23 1.484(8) . ?
N6 H6 0.9100 . ?
C23 C24 1.518(9) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C29 1.374(9) . ?
C24 C25 1.383(9) . ?
C25 C26 1.383(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.408(9) . ?
C26 C30 1.491(10) . ?
C27 C28 1.362(11) . ?
C27 H27 0.9300 . ?
C28 C29 1.384(10) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C35 1.379(9) . ?
C30 C31 1.395(9) . ?
C31 C32 1.383(9) . ?
C31 H31 0.9300 . ?
C32 C33 1.380(10) . ?
C32 C36 1.540(10) . ?
C33 C34 1.379(11) . ?
C33 H33 0.9300 . ?
C34 C35 1.363(10) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
O1W H1WA 0.90(5) . ?
O1W H1WB 0.90(6) . ?
O2W H2WA 0.91(5) . ?
O2W H2WB 0.90(4) . ?
N7 O4 1.184(11) . ?
N7 O3 1.232(7) . ?
N7 O3 1.232(7) 3_655 ?
N8 O6 1.227(12) . ?
N8 O5 1.251(6) . ?
N8 O5 1.251(6) 3_755 ?
N9 O7 1.198(8) . ?
N9 O9 1.200(8) . ?
N9 O8 1.261(8) . ?
N10 O11 1.212(8) . ?
N10 O12 1.229(8) . ?
N10 O10 1.239(8) . ?
N12 O15 1.253(8) . ?
N12 O15 1.253(8) 3_755 ?
N12 O16 1.258(13) . ?
N11 O14 1.053(13) 3_655 ?
N11 O14 1.053(13) . ?
N11 O13 1.07(3) . ?
O14 O14 1.73(3) 3_655 ?
O17 C39 1.332(15) . ?
O17 C37 1.488(18) . ?
C37 C38 1.28(3) . ?
C37 H37A 0.9700 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C39 C40 1.342(18) . ?
C39 H39A 0.9700 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
O18 C43 1.34(5) . ?
O18 C41 1.52(3) . ?
C41 C42 1.29(8) . ?
C41 H41A 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C43 C44 1.32(2) . ?
C43 H43A 0.9700 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1W Cu1 N1 C1 -166.2(5) . . . . ?
N2 Cu1 N1 C1 15.9(5) . . . . ?
N3 Cu1 N1 C1 78.5(7) . . . . ?
O3 Cu1 N1 C1 -74.8(5) . . . . ?
O1W Cu1 N1 C36 -31.8(5) . . . . ?
N2 Cu1 N1 C36 150.3(5) . . . . ?
N3 Cu1 N1 C36 -147.1(6) . . . . ?
O3 Cu1 N1 C36 59.6(6) . . . . ?
C36 N1 C1 C2 -179.6(6) . . . . ?
Cu1 N1 C1 C2 -40.2(7) . . . . ?
N1 C1 C2 N2 51.2(8) . . . . ?
C1 C2 N2 C3 -159.1(7) . . . . ?
C1 C2 N2 Cu1 -36.6(7) . . . . ?
N3 Cu1 N2 C3 -18.8(5) . . . . ?
N1 Cu1 N2 C3 140.3(5) . . . . ?
O3 Cu1 N2 C3 -106.4(5) . . . . ?
N3 Cu1 N2 C2 -147.0(5) . . . . ?
N1 Cu1 N2 C2 12.1(5) . . . . ?
O3 Cu1 N2 C2 125.4(5) . . . . ?
C2 N2 C3 C4 168.9(7) . . . . ?
Cu1 N2 C3 C4 45.3(8) . . . . ?
N2 C3 C4 N3 -56.2(10) . . . . ?
C3 C4 N3 C5 168.4(7) . . . . ?
C3 C4 N3 Cu1 38.7(9) . . . . ?
O1W Cu1 N3 C5 46.2(5) . . . . ?
N2 Cu1 N3 C5 -136.8(5) . . . . ?
N1 Cu1 N3 C5 160.7(5) . . . . ?
O3 Cu1 N3 C5 -43.6(5) . . . . ?
O1W Cu1 N3 C4 172.0(5) . . . . ?
N2 Cu1 N3 C4 -11.0(6) . . . . ?
N1 Cu1 N3 C4 -73.5(8) . . . . ?
O3 Cu1 N3 C4 82.2(6) . . . . ?
C4 N3 C5 C6 63.0(8) . . . . ?
Cu1 N3 C5 C6 -173.2(5) . . . . ?
N3 C5 C6 C7 80.6(8) . . . . ?
N3 C5 C6 C11 -101.6(8) . . . . ?
C11 C6 C7 C8 -0.4(10) . . . . ?
C5 C6 C7 C8 177.5(6) . . . . ?
C6 C7 C8 C9 0.5(9) . . . . ?
C6 C7 C8 C12 177.8(6) . . . . ?
C7 C8 C9 C10 -0.3(9) . . . . ?
C12 C8 C9 C10 -177.6(6) . . . . ?
C8 C9 C10 C11 0.0(10) . . . . ?
C9 C10 C11 C6 0.2(11) . . . . ?
C7 C6 C11 C10 0.0(10) . . . . ?
C5 C6 C11 C10 -177.8(7) . . . . ?
C7 C8 C12 C17 150.5(6) . . . . ?
C9 C8 C12 C17 -32.3(9) . . . . ?
C7 C8 C12 C13 -33.0(9) . . . . ?
C9 C8 C12 C13 144.2(6) . . . . ?
C17 C12 C13 C14 -2.5(9) . . . . ?
C8 C12 C13 C14 -179.1(6) . . . . ?
C12 C13 C14 C15 4.3(10) . . . . ?
C12 C13 C14 C18 -174.0(6) . . . . ?
C13 C14 C15 C16 -2.4(10) . . . . ?
C18 C14 C15 C16 175.8(6) . . . . ?
C14 C15 C16 C17 -1.2(11) . . . . ?
C15 C16 C17 C12 3.1(11) . . . . ?
C13 C12 C17 C16 -1.2(9) . . . . ?
C8 C12 C17 C16 175.3(6) . . . . ?
C15 C14 C18 N4 -105.2(7) . . . . ?
C13 C14 C18 N4 73.0(8) . . . . ?
C14 C18 N4 C19 83.0(7) . . . . ?
C14 C18 N4 Cu2 -143.3(5) . . . . ?
N5 Cu2 N4 C18 -151.3(5) . . . . ?
O2W Cu2 N4 C18 31.2(5) . . . . ?
N6 Cu2 N4 C18 140.8(6) . . . . ?
O5 Cu2 N4 C18 -64.8(5) . . . . ?
N5 Cu2 N4 C19 -15.3(4) . . . . ?
O2W Cu2 N4 C19 167.2(4) . . . . ?
N6 Cu2 N4 C19 -83.1(7) . . . . ?
O5 Cu2 N4 C19 71.3(5) . . . . ?
C18 N4 C19 C20 -178.1(6) . . . . ?
Cu2 N4 C19 C20 40.3(7) . . . . ?
N4 C19 C20 N5 -52.2(8) . . . . ?
C19 C20 N5 C21 160.2(6) . . . . ?
C19 C20 N5 Cu2 38.5(7) . . . . ?
N4 Cu2 N5 C20 -12.7(5) . . . . ?
N6 Cu2 N5 C20 144.9(5) . . . . ?
O5 Cu2 N5 C20 -126.8(5) . . . . ?
N4 Cu2 N5 C21 -137.8(4) . . . . ?
N6 Cu2 N5 C21 19.8(4) . . . . ?
O5 Cu2 N5 C21 108.1(4) . . . . ?
C20 N5 C21 C22 -166.7(6) . . . . ?
Cu2 N5 C21 C22 -44.5(6) . . . . ?
N5 C21 C22 N6 54.8(8) . . . . ?
C21 C22 N6 C23 -167.7(6) . . . . ?
C21 C22 N6 Cu2 -38.1(7) . . . . ?
N5 Cu2 N6 C22 10.2(4) . . . . ?
O2W Cu2 N6 C22 -173.5(4) . . . . ?
N4 Cu2 N6 C22 78.0(7) . . . . ?
O5 Cu2 N6 C22 -78.7(4) . . . . ?
N5 Cu2 N6 C23 136.2(5) . . . . ?
O2W Cu2 N6 C23 -47.5(5) . . . . ?
N4 Cu2 N6 C23 -156.0(5) . . . . ?
O5 Cu2 N6 C23 47.3(5) . . . . ?
C22 N6 C23 C24 -64.3(7) . . . . ?
Cu2 N6 C23 C24 171.8(5) . . . . ?
N6 C23 C24 C29 100.5(7) . . . . ?
N6 C23 C24 C25 -80.0(8) . . . . ?
C29 C24 C25 C26 1.7(9) . . . . ?
C23 C24 C25 C26 -177.8(6) . . . . ?
C24 C25 C26 C27 -1.1(9) . . . . ?
C24 C25 C26 C30 179.3(6) . . . . ?
C25 C26 C27 C28 -0.4(10) . . . . ?
C30 C26 C27 C28 179.2(6) . . . . ?
C26 C27 C28 C29 1.2(12) . . . . ?
C25 C24 C29 C28 -0.9(10) . . . . ?
C23 C24 C29 C28 178.6(7) . . . . ?
C27 C28 C29 C24 -0.5(12) . . . . ?
C25 C26 C30 C35 -149.8(7) . . . . ?
C27 C26 C30 C35 30.6(9) . . . . ?
C25 C26 C30 C31 30.7(9) . . . . ?
C27 C26 C30 C31 -148.9(7) . . . . ?
C35 C30 C31 C32 -1.7(9) . . . . ?
C26 C30 C31 C32 177.8(6) . . . . ?
C30 C31 C32 C33 0.0(10) . . . . ?
C30 C31 C32 C36 179.7(6) . . . . ?
C31 C32 C33 C34 1.7(11) . . . . ?
C36 C32 C33 C34 -178.1(7) . . . . ?
C32 C33 C34 C35 -1.6(11) . . . . ?
C33 C34 C35 C30 -0.1(11) . . . . ?
C31 C30 C35 C34 1.8(10) . . . . ?
C26 C30 C35 C34 -177.7(6) . . . . ?
C1 N1 C36 C32 -88.7(7) . . . . ?
Cu1 N1 C36 C32 138.6(5) . . . . ?
C33 C32 C36 N1 110.4(7) . . . . ?
C31 C32 C36 N1 -69.4(8) . . . . ?
O4 N7 O3 Cu1 -1.0(17) . . . . ?
O3 N7 O3 Cu1 -176.6(5) 3_655 . . . ?
O1W Cu1 O3 N7 98.1(8) . . . . ?
N2 Cu1 O3 N7 -80.3(8) . . . . ?
N3 Cu1 O3 N7 -164.9(8) . . . . ?
N1 Cu1 O3 N7 4.7(9) . . . . ?
O6 N8 O5 Cu2 7.8(13) . . . . ?
O5 N8 O5 Cu2 -173.7(4) 3_755 . . . ?
N5 Cu2 O5 N8 98.5(7) . . . . ?
O2W Cu2 O5 N8 -79.3(7) . . . . ?
N4 Cu2 O5 N8 14.2(7) . . . . ?
N6 Cu2 O5 N8 -176.0(7) . . . . ?
O13 N11 O14 O14 170(5) . . . 3_655 ?
C39 O17 C37 C38 180 . . . . ?
C37 O17 C39 C40 180 . . . . ?
C43 O18 C41 C42 180 . . . . ?
C41 O18 C43 C44 180 . . . . ?
