Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2007

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author             
;
'Han, Zheng-Bo'
School of Chemical Science and Engineering
Liaoning University
Shenyang, 110036
P. R. China
;
_publ_contact_author_phone       86-24-62207849
_publ_contact_author_fax         86-24-62202380
_publ_contact_author_email       ceshzb@lnu.edu.cn
_publ_requested_coeditor_name    ?
_publ_contact_letter             
;
Dear Sir or Madam:
Please consider this CIF as a supplmentary data for a manuscript
submitted to Dalton Trans.
Aug. 12, 2006
;

loop_
_publ_author_name
_publ_author_address
'Zheng-Bo Han.'
; College of Chemistry
Liaoning University
Shenyang 110036
P. R. China
;
'Yong-Ke He.'
; College of Chemistry
Liaoning University
Shenyang 110036
P. R. China
;
'Chun-Hua Ge.'
; College of Chemistry
Liaoning University
Shenyang 110036
P. R. China
;
'Joan Ribas'
; Departament de Qulm Inorganica,
Universitat de Barcelona, Diagonal,
6487,08028 Barcelona, Spain
;
'Lin Xu.'
; Department of Chemistry
Northeast Normal University
Changchun 130024
P. R. China
;

_publ_section_title              
;
Hydrothermal syntheses, crystal structures and
magnetic properties of two copper(II) complexes involved in situ ligand
synthesis
;
_publ_contact_author_name        'Han, Zheng-Bo'

#======================================

data_1
_database_code_depnum_ccdc_archive 'CCDC 605846'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H34 Cu3 N4 O16'
_chemical_formula_weight         1161.45

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3173(15)
_cell_length_b                   10.8014(16)
_cell_length_c                   11.5780(16)
_cell_angle_alpha                83.150(2)
_cell_angle_beta                 84.599(2)
_cell_angle_gamma                66.1840(10)
_cell_volume                     1170.5(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Block
_exptl_crystal_colour            Green
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             589
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.6201
_exptl_absorpt_correction_T_max  0.7296
_exptl_absorpt_process_details   '(North et al., 1968)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruke P4 diffractometer'
_diffrn_measurement_method       '\w scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 97
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            6358
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4495
_reflns_number_gt                3916
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+0.6860P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4495
_refine_ls_number_parameters     340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0902
_refine_ls_wR_factor_gt          0.0858
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.20049(3) 0.23382(3) 0.30932(2) 0.02578(10) Uani 1 1 d . . .
Cu2 Cu 0.5000 0.0000 0.5000 0.02232(11) Uani 1 2 d S . .
C1 C 0.0715(3) 0.1260(3) 0.5191(2) 0.0359(6) Uani 1 1 d . . .
H1 H 0.1535 0.0467 0.5179 0.043 Uiso 1 1 calc R . .
C2 C -0.0394(3) 0.1299(3) 0.5973(3) 0.0458(7) Uani 1 1 d . . .
H2 H -0.0327 0.0542 0.6481 0.055 Uiso 1 1 calc R . .
C3 C -0.1600(3) 0.2477(4) 0.5988(3) 0.0506(8) Uani 1 1 d . . .
H3 H -0.2366 0.2518 0.6497 0.061 Uiso 1 1 calc R . .
C4 C -0.1671(3) 0.3593(3) 0.5250(3) 0.0440(7) Uani 1 1 d . . .
H4 H -0.2475 0.4400 0.5262 0.053 Uiso 1 1 calc R . .
C5 C -0.1473(3) 0.5959(3) 0.3649(2) 0.0388(7) Uani 1 1 d . . .
H5 H -0.2249 0.6188 0.4181 0.047 Uiso 1 1 calc R . .
C6 C -0.1295(3) 0.6934(3) 0.2837(3) 0.0419(7) Uani 1 1 d . . .
H6 H -0.1946 0.7832 0.2825 0.050 Uiso 1 1 calc R . .
C7 C -0.0161(3) 0.6571(3) 0.2053(2) 0.0417(7) Uani 1 1 d . . .
H7 H -0.0032 0.7215 0.1499 0.050 Uiso 1 1 calc R . .
C8 C 0.0798(3) 0.5226(3) 0.2097(2) 0.0350(6) Uani 1 1 d . . .
H8 H 0.1564 0.4977 0.1556 0.042 Uiso 1 1 calc R . .
C9 C -0.0470(3) 0.4630(3) 0.3653(2) 0.0301(5) Uani 1 1 d . . .
C10 C -0.0520(3) 0.3498(3) 0.4483(2) 0.0312(6) Uani 1 1 d . . .
C11 C 0.4887(3) 0.2414(2) 0.3882(2) 0.0255(5) Uani 1 1 d . . .
C12 C 0.5505(2) 0.3269(2) 0.3095(2) 0.0241(5) Uani 1 1 d . . .
C13 C 0.4632(3) 0.4527(3) 0.2592(3) 0.0373(6) Uani 1 1 d . . .
H13 H 0.3665 0.4874 0.2793 0.045 Uiso 1 1 calc R . .
C14 C 0.5175(3) 0.5272(3) 0.1796(3) 0.0509(9) Uani 1 1 d . . .
H14 H 0.4580 0.6123 0.1477 0.061 Uiso 1 1 calc R . .
C15 C 0.6610(3) 0.4750(3) 0.1473(3) 0.0417(7) Uani 1 1 d . . .
H15 H 0.6977 0.5245 0.0928 0.050 Uiso 1 1 calc R . .
C16 C 0.7498(3) 0.3492(2) 0.1964(2) 0.0265(5) Uani 1 1 d . . .
C17 C 0.6945(3) 0.2761(2) 0.2785(2) 0.0253(5) Uani 1 1 d . . .
H17 H 0.7545 0.1926 0.3129 0.030 Uiso 1 1 calc R . .
C18 C 0.9041(3) 0.2884(3) 0.1632(2) 0.0281(5) Uani 1 1 d . . .
C19 C 0.4185(3) -0.0428(2) 0.29820(19) 0.0250(5) Uani 1 1 d . . .
C20 C 0.4188(2) -0.0879(2) 0.18100(19) 0.0233(5) Uani 1 1 d . . .
C21 C 0.2912(3) -0.0654(3) 0.1335(2) 0.0299(5) Uani 1 1 d . . .
H21 H 0.2059 -0.0258 0.1761 0.036 Uiso 1 1 calc R . .
C22 C 0.2913(3) -0.1019(3) 0.0232(2) 0.0373(6) Uani 1 1 d . . .
H22 H 0.2063 -0.0892 -0.0075 0.045 Uiso 1 1 calc R . .
C23 C 0.4179(3) -0.1575(3) -0.0423(2) 0.0321(6) Uani 1 1 d . . .
H23 H 0.4172 -0.1798 -0.1173 0.039 Uiso 1 1 calc R . .
C24 C 0.5454(2) -0.1797(2) 0.00414(19) 0.0218(5) Uani 1 1 d . . .
C25 C 0.5455(2) -0.1468(2) 0.11607(19) 0.0230(5) Uani 1 1 d . . .
H25 H 0.6311 -0.1642 0.1482 0.028 Uiso 1 1 calc R . .
C26 C 0.6827(3) -0.2318(2) -0.0677(2) 0.0251(5) Uani 1 1 d . . .
N1 N 0.0641(2) 0.2338(2) 0.44477(17) 0.0283(5) Uani 1 1 d . . .
N2 N 0.0660(2) 0.4279(2) 0.28864(17) 0.0271(4) Uani 1 1 d . . .
O1 O 0.35846(18) 0.28637(19) 0.41288(15) 0.0307(4) Uani 1 1 d . . .
O2 O 0.57698(19) 0.12387(18) 0.42288(15) 0.0334(4) Uani 1 1 d . . .
O3 O 0.94185(19) 0.3575(2) 0.07536(16) 0.0411(5) Uani 1 1 d . . .
H3A H 1.0280 0.3217 0.0625 0.062 Uiso 1 1 calc R . .
O4 O 0.9868(2) 0.1867(2) 0.21540(18) 0.0425(5) Uani 1 1 d . . .
O5 O 0.30228(19) 0.03808(18) 0.34344(15) 0.0323(4) Uani 1 1 d . . .
O6 O 0.53239(19) -0.08633(19) 0.34951(14) 0.0319(4) Uani 1 1 d . . .
O7 O 0.67193(19) -0.23464(18) -0.17548(14) 0.0316(4) Uani 1 1 d . . .
O8 O 0.79514(19) -0.2676(2) -0.01742(16) 0.0408(5) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cu1 0.02379(17) 0.02527(17) 0.02037(16) -0.00753(11) 0.00940(11) -0.00237(13)
Cu2 0.0230(2) 0.0246(2) 0.0170(2) -0.00399(15) 0.00510(15) -0.00776(17)
C1 0.0406(16) 0.0336(14) 0.0332(14) -0.0123(11) 0.0113(11) -0.0146(13)
C2 0.056(2) 0.0474(18) 0.0408(16) -0.0151(13) 0.0211(14) -0.0298(16)
C3 0.0413(18) 0.067(2) 0.0479(18) -0.0223(16) 0.0274(14) -0.0273(17)
C4 0.0288(15) 0.0559(19) 0.0423(16) -0.0177(14) 0.0153(12) -0.0115(14)
C5 0.0257(14) 0.0456(17) 0.0356(14) -0.0182(12) -0.0007(11) -0.0004(12)
C6 0.0378(16) 0.0325(15) 0.0403(16) -0.0128(12) -0.0121(13) 0.0061(12)
C7 0.0504(18) 0.0333(15) 0.0330(14) -0.0041(11) -0.0079(13) -0.0065(13)
C8 0.0364(15) 0.0341(15) 0.0280(13) -0.0073(11) 0.0017(11) -0.0067(12)
C9 0.0225(13) 0.0355(14) 0.0275(12) -0.0154(10) 0.0005(10) -0.0035(11)
C10 0.0244(13) 0.0393(15) 0.0285(13) -0.0169(11) 0.0061(10) -0.0093(11)
C11 0.0294(13) 0.0302(13) 0.0198(11) -0.0076(9) 0.0049(9) -0.0148(11)
C12 0.0224(12) 0.0247(12) 0.0249(12) -0.0071(9) 0.0069(9) -0.0094(10)
C13 0.0214(13) 0.0316(14) 0.0501(17) -0.0021(12) 0.0124(11) -0.0048(11)
C14 0.0307(16) 0.0297(15) 0.073(2) 0.0153(15) 0.0107(14) -0.0006(13)
C15 0.0310(15) 0.0318(15) 0.0542(18) 0.0085(13) 0.0125(13) -0.0104(12)
C16 0.0235(13) 0.0299(13) 0.0263(12) -0.0053(10) 0.0039(9) -0.0113(11)
C17 0.0235(12) 0.0250(12) 0.0258(12) -0.0041(9) 0.0014(9) -0.0081(10)
C18 0.0234(13) 0.0346(14) 0.0267(12) -0.0084(10) 0.0055(10) -0.0116(11)
C19 0.0303(13) 0.0218(12) 0.0192(11) -0.0041(9) 0.0095(10) -0.0083(10)
C20 0.0244(12) 0.0199(11) 0.0216(11) -0.0044(9) 0.0048(9) -0.0054(10)
C21 0.0193(12) 0.0331(14) 0.0315(13) -0.0101(10) 0.0108(10) -0.0050(11)
C22 0.0222(13) 0.0534(18) 0.0347(14) -0.0147(12) 0.0006(11) -0.0107(13)
C23 0.0309(14) 0.0433(15) 0.0230(12) -0.0138(11) 0.0052(10) -0.0140(12)
C24 0.0229(12) 0.0203(11) 0.0196(11) -0.0038(9) 0.0060(9) -0.0069(10)
C25 0.0203(12) 0.0231(12) 0.0226(11) -0.0038(9) 0.0042(9) -0.0062(10)
C26 0.0271(13) 0.0224(12) 0.0227(12) -0.0043(9) 0.0084(10) -0.0081(10)
N1 0.0275(11) 0.0328(12) 0.0248(10) -0.0128(9) 0.0083(8) -0.0116(9)
N2 0.0241(11) 0.0281(11) 0.0248(10) -0.0092(8) 0.0038(8) -0.0049(9)
O1 0.0238(9) 0.0409(10) 0.0281(9) -0.0098(8) 0.0100(7) -0.0144(8)
O2 0.0297(10) 0.0315(10) 0.0347(10) 0.0023(8) 0.0072(8) -0.0111(8)
O3 0.0208(9) 0.0571(13) 0.0375(11) 0.0058(9) 0.0075(8) -0.0118(9)
O4 0.0261(10) 0.0412(12) 0.0487(12) 0.0005(9) 0.0052(9) -0.0042(9)
O5 0.0349(10) 0.0268(9) 0.0246(9) -0.0070(7) 0.0130(7) -0.0031(8)
O6 0.0291(10) 0.0401(10) 0.0225(9) -0.0123(7) 0.0051(7) -0.0085(8)
O7 0.0324(10) 0.0369(10) 0.0204(8) -0.0092(7) 0.0105(7) -0.0094(8)
O8 0.0206(9) 0.0640(14) 0.0277(9) -0.0098(9) 0.0091(7) -0.0071(9)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.9381(16) 2_655 ?
Cu1 O5 1.9531(18) . ?
Cu1 N2 1.993(2) . ?
Cu1 N1 2.006(2) . ?
Cu1 O1 2.3861(18) . ?
Cu2 O2 1.9126(17) 2_656 ?
Cu2 O2 1.9126(17) . ?
Cu2 O6 2.0108(16) 2_656 ?
Cu2 O6 2.0108(16) . ?
C1 N1 1.343(3) . ?
C1 C2 1.381(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.375(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.372(5) . ?
C3 H3 0.9300 . ?
C4 C10 1.390(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.384(4) . ?
C5 C9 1.390(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.364(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.386(4) . ?
C7 H7 0.9300 . ?
C8 N2 1.331(3) . ?
C8 H8 0.9300 . ?
C9 N2 1.349(3) . ?
C9 C10 1.477(4) . ?
C10 N1 1.341(3) . ?
C11 O1 1.247(3) . ?
C11 O2 1.271(3) . ?
C11 C12 1.501(3) . ?
C12 C13 1.386(4) . ?
C12 C17 1.388(3) . ?
C13 C14 1.379(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.387(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.385(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.391(3) . ?
C16 C18 1.488(3) . ?
C17 H17 0.9300 . ?
C18 O4 1.217(3) . ?
C18 O3 1.313(3) . ?
C19 O6 1.254(3) . ?
C19 O5 1.273(3) . ?
C19 C20 1.495(3) . ?
C20 C25 1.391(3) . ?
C20 C21 1.393(3) . ?
C21 C22 1.381(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.389(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.386(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.384(3) . ?
C24 C26 1.504(3) . ?
C25 H25 0.9300 . ?
C26 O8 1.244(3) . ?
C26 O7 1.268(3) . ?
O3 H3A 0.8200 . ?
O7 Cu1 1.9381(16) 2_655 ?

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 O5 91.23(7) 2_655 . ?
O7 Cu1 N2 98.07(8) 2_655 . ?
O5 Cu1 N2 169.48(8) . . ?
O7 Cu1 N1 178.37(8) 2_655 . ?
O5 Cu1 N1 89.25(8) . . ?
N2 Cu1 N1 81.31(9) . . ?
O7 Cu1 O1 84.95(7) 2_655 . ?
O5 Cu1 O1 93.22(7) . . ?
N2 Cu1 O1 92.48(7) . . ?
N1 Cu1 O1 96.58(7) . . ?
O2 Cu2 O2 180.00(7) 2_656 . ?
O2 Cu2 O6 88.24(8) 2_656 2_656 ?
O2 Cu2 O6 91.76(8) . 2_656 ?
O2 Cu2 O6 91.76(8) 2_656 . ?
O2 Cu2 O6 88.24(8) . . ?
O6 Cu2 O6 180.0 2_656 . ?
N1 C1 C2 121.7(3) . . ?
N1 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C3 C2 C1 118.7(3) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C10 118.9(3) . . ?
C3 C4 H4 120.6 . . ?
C10 C4 H4 120.6 . . ?
C6 C5 C9 118.7(3) . . ?
C6 C5 H5 120.7 . . ?
C9 C5 H5 120.7 . . ?
C7 C6 C5 119.7(3) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C7 C8 118.9(3) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 H7 120.5 . . ?
N2 C8 C7 122.3(3) . . ?
N2 C8 H8 118.8 . . ?
C7 C8 H8 118.8 . . ?
N2 C9 C5 121.4(3) . . ?
N2 C9 C10 114.4(2) . . ?
C5 C9 C10 124.2(2) . . ?
N1 C10 C4 121.2(3) . . ?
N1 C10 C9 115.0(2) . . ?
C4 C10 C9 123.8(3) . . ?
O1 C11 O2 124.8(2) . . ?
O1 C11 C12 119.9(2) . . ?
O2 C11 C12 115.3(2) . . ?
C13 C12 C17 119.0(2) . . ?
C13 C12 C11 120.5(2) . . ?
C17 C12 C11 120.3(2) . . ?
C14 C13 C12 121.0(2) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 119.9(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 119.9(2) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 119.8(2) . . ?
C15 C16 C18 121.8(2) . . ?
C17 C16 C18 118.4(2) . . ?
C12 C17 C16 120.5(2) . . ?
C12 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
O4 C18 O3 123.9(2) . . ?
O4 C18 C16 122.7(2) . . ?
O3 C18 C16 113.4(2) . . ?
O6 C19 O5 121.9(2) . . ?
O6 C19 C20 119.2(2) . . ?
O5 C19 C20 118.9(2) . . ?
C25 C20 C21 119.4(2) . . ?
C25 C20 C19 120.5(2) . . ?
C21 C20 C19 120.1(2) . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.3(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 120.1(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 119.6(2) . . ?
C25 C24 C26 119.4(2) . . ?
C23 C24 C26 120.9(2) . . ?
C24 C25 C20 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
O8 C26 O7 126.0(2) . . ?
O8 C26 C24 118.0(2) . . ?
O7 C26 C24 116.0(2) . . ?
C10 N1 C1 119.5(2) . . ?
C10 N1 Cu1 113.90(17) . . ?
C1 N1 Cu1 126.02(18) . . ?
C8 N2 C9 119.0(2) . . ?
C8 N2 Cu1 126.34(18) . . ?
C9 N2 Cu1 114.64(17) . . ?
C11 O1 Cu1 122.02(15) . . ?
C11 O2 Cu2 116.78(15) . . ?
C18 O3 H3A 109.5 . . ?
C19 O5 Cu1 129.74(15) . . ?
C19 O6 Cu2 109.76(15) . . ?
C26 O7 Cu1 131.74(17) . 2_655 ?

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
N1 C1 C2 C3 -0.2(4) . . . . ?
C1 C2 C3 C4 -1.3(5) . . . . ?
C2 C3 C4 C10 1.1(5) . . . . ?
C9 C5 C6 C7 0.9(4) . . . . ?
C5 C6 C7 C8 -0.5(4) . . . . ?
C6 C7 C8 N2 -0.9(4) . . . . ?
C6 C5 C9 N2 0.0(4) . . . . ?
C6 C5 C9 C10 179.0(2) . . . . ?
C3 C4 C10 N1 0.6(4) . . . . ?
C3 C4 C10 C9 -179.7(3) . . . . ?
N2 C9 C10 N1 7.8(3) . . . . ?
C5 C9 C10 N1 -171.3(2) . . . . ?
N2 C9 C10 C4 -171.9(2) . . . . ?
C5 C9 C10 C4 9.0(4) . . . . ?
O1 C11 C12 C13 -3.3(4) . . . . ?
O2 C11 C12 C13 175.1(2) . . . . ?
O1 C11 C12 C17 -177.9(2) . . . . ?
O2 C11 C12 C17 0.5(3) . . . . ?
C17 C12 C13 C14 -0.1(4) . . . . ?
C11 C12 C13 C14 -174.8(3) . . . . ?
C12 C13 C14 C15 1.3(5) . . . . ?
C13 C14 C15 C16 -1.0(5) . . . . ?
C14 C15 C16 C17 -0.4(4) . . . . ?
C14 C15 C16 C18 179.2(3) . . . . ?
C13 C12 C17 C16 -1.4(4) . . . . ?
C11 C12 C17 C16 173.4(2) . . . . ?
C15 C16 C17 C12 1.6(4) . . . . ?
C18 C16 C17 C12 -178.0(2) . . . . ?
C15 C16 C18 O4 170.4(3) . . . . ?
C17 C16 C18 O4 -9.9(4) . . . . ?
C15 C16 C18 O3 -7.5(4) . . . . ?
C17 C16 C18 O3 172.1(2) . . . . ?
O6 C19 C20 C25 -16.9(3) . . . . ?
O5 C19 C20 C25 163.6(2) . . . . ?
O6 C19 C20 C21 166.2(2) . . . . ?
O5 C19 C20 C21 -13.3(3) . . . . ?
C25 C20 C21 C22 0.3(4) . . . . ?
C19 C20 C21 C22 177.2(2) . . . . ?
C20 C21 C22 C23 -1.9(4) . . . . ?
C21 C22 C23 C24 1.6(4) . . . . ?
C22 C23 C24 C25 0.3(4) . . . . ?
C22 C23 C24 C26 -176.2(2) . . . . ?
C23 C24 C25 C20 -1.9(3) . . . . ?
C26 C24 C25 C20 174.7(2) . . . . ?
C21 C20 C25 C24 1.6(3) . . . . ?
C19 C20 C25 C24 -175.3(2) . . . . ?
C25 C24 C26 O8 13.2(3) . . . . ?
C23 C24 C26 O8 -170.2(2) . . . . ?
C25 C24 C26 O7 -166.7(2) . . . . ?
C23 C24 C26 O7 9.9(3) . . . . ?
C4 C10 N1 C1 -2.1(4) . . . . ?
C9 C10 N1 C1 178.2(2) . . . . ?
C4 C10 N1 Cu1 169.7(2) . . . . ?
C9 C10 N1 Cu1 -10.1(3) . . . . ?
C2 C1 N1 C10 2.0(4) . . . . ?
C2 C1 N1 Cu1 -168.8(2) . . . . ?
O7 Cu1 N1 C10 -61(3) 2_655 . . . ?
O5 Cu1 N1 C10 -168.11(18) . . . . ?
N2 Cu1 N1 C10 7.21(17) . . . . ?
O1 Cu1 N1 C10 98.73(17) . . . . ?
O7 Cu1 N1 C1 110(3) 2_655 . . . ?
O5 Cu1 N1 C1 3.1(2) . . . . ?
N2 Cu1 N1 C1 178.4(2) . . . . ?
O1 Cu1 N1 C1 -90.1(2) . . . . ?
C7 C8 N2 C9 1.8(4) . . . . ?
C7 C8 N2 Cu1 -176.9(2) . . . . ?
C5 C9 N2 C8 -1.3(4) . . . . ?
C10 C9 N2 C8 179.6(2) . . . . ?
C5 C9 N2 Cu1 177.49(19) . . . . ?
C10 C9 N2 Cu1 -1.6(3) . . . . ?
O7 Cu1 N2 C8 -5.7(2) 2_655 . . . ?
O5 Cu1 N2 C8 -157.6(4) . . . . ?
N1 Cu1 N2 C8 175.8(2) . . . . ?
O1 Cu1 N2 C8 79.6(2) . . . . ?
O7 Cu1 N2 C9 175.64(17) 2_655 . . . ?
O5 Cu1 N2 C9 23.7(5) . . . . ?
N1 Cu1 N2 C9 -2.84(17) . . . . ?
O1 Cu1 N2 C9 -99.12(17) . . . . ?
O2 C11 O1 Cu1 -82.2(3) . . . . ?
C12 C11 O1 Cu1 96.1(2) . . . . ?
O7 Cu1 O1 C11 -33.70(19) 2_655 . . . ?
O5 Cu1 O1 C11 57.25(19) . . . . ?
N2 Cu1 O1 C11 -131.59(19) . . . . ?
N1 Cu1 O1 C11 146.87(19) . . . . ?
O1 C11 O2 Cu2 9.1(3) . . . . ?
C12 C11 O2 Cu2 -169.29(15) . . . . ?
O2 Cu2 O2 C11 0(100) 2_656 . . . ?
O6 Cu2 O2 C11 -80.11(18) 2_656 . . . ?
O6 Cu2 O2 C11 99.89(18) . . . . ?
O6 C19 O5 Cu1 103.1(3) . . . . ?
C20 C19 O5 Cu1 -77.4(3) . . . . ?
O7 Cu1 O5 C19 8.3(2) 2_655 . . . ?
N2 Cu1 O5 C19 160.5(4) . . . . ?
N1 Cu1 O5 C19 -173.3(2) . . . . ?
O1 Cu1 O5 C19 -76.8(2) . . . . ?
O5 C19 O6 Cu2 -3.6(3) . . . . ?
C20 C19 O6 Cu2 176.93(16) . . . . ?
O2 Cu2 O6 C19 80.48(17) 2_656 . . . ?
O2 Cu2 O6 C19 -99.52(17) . . . . ?
O6 Cu2 O6 C19 -68(100) 2_656 . . . ?
O8 C26 O7 Cu1 -22.9(4) . . . 2_655 ?
C24 C26 O7 Cu1 156.94(16) . . . 2_655 ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         0.400
_refine_diff_density_min         -0.509
_refine_diff_density_rms         0.067

#=======================================

data_2
_database_code_depnum_ccdc_archive 'CCDC 605847'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H44 Cu6 N4 O28'
_chemical_formula_weight         1554.15

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4691(17)
_cell_length_b                   12.6394(15)
_cell_length_c                   13.0665(14)
_cell_angle_alpha                95.437(9)
_cell_angle_beta                 108.129(12)
_cell_angle_gamma                91.521(14)
_cell_volume                     1321.0(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Block
_exptl_crystal_colour            Green
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.32
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             782
_exptl_absorpt_coefficient_mu    2.475
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.4144
_exptl_absorpt_correction_T_max  0.5010
_exptl_absorpt_process_details   '(North et al., 1968)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruke P4 diffractometer'
_diffrn_measurement_method       '\w scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 97
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            6307
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.62
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5196
_reflns_number_gt                4224
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0938P)^2^+4.8430P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5196
_refine_ls_number_parameters     431
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1656
_refine_ls_wR_factor_gt          0.1456
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.25501(8) 0.10652(5) 0.53790(5) 0.02243(19) Uani 1 1 d . . .
Cu2 Cu 0.36631(8) -0.11117(5) 0.50662(5) 0.02062(18) Uani 1 1 d . . .
C1 C 0.1667(6) -0.2230(4) 0.3018(4) 0.0213(10) Uani 1 1 d . . .
C2 C 0.0450(6) -0.1369(4) 0.2813(4) 0.0206(10) Uani 1 1 d . . .
C3 C -0.0892(7) -0.1532(5) 0.1850(4) 0.0272(12) Uani 1 1 d . . .
H3 H -0.0984 -0.2150 0.1384 0.033 Uiso 1 1 calc R . .
C4 C -0.2074(7) -0.0792(5) 0.1582(4) 0.0292(12) Uani 1 1 d . . .
H4 H -0.2939 -0.0900 0.0930 0.035 Uiso 1 1 calc R . .
C5 C -0.1969(7) 0.0114(5) 0.2288(4) 0.0260(11) Uani 1 1 d . . .
H5 H -0.2787 0.0602 0.2111 0.031 Uiso 1 1 calc R . .
C6 C -0.0662(6) 0.0311(4) 0.3259(4) 0.0209(10) Uani 1 1 d . . .
C7 C 0.0591(6) -0.0428(4) 0.3509(4) 0.0197(10) Uani 1 1 d . . .
C8 C -0.0720(7) 0.1302(4) 0.3979(4) 0.0224(11) Uani 1 1 d . . .
C9 C 0.4531(7) 0.2235(4) 0.7360(4) 0.0235(11) Uani 1 1 d . . .
C10 C 0.5468(7) 0.1262(4) 0.7709(4) 0.0241(11) Uani 1 1 d . . .
C11 C 0.6521(8) 0.1343(5) 0.8779(4) 0.0322(13) Uani 1 1 d . . .
H11 H 0.6583 0.1973 0.9224 0.039 Uiso 1 1 calc R . .
C12 C 0.7464(9) 0.0528(5) 0.9194(5) 0.0389(15) Uani 1 1 d . . .
H12 H 0.8131 0.0594 0.9915 0.047 Uiso 1 1 calc R . .
C13 C 0.7405(8) -0.0401(5) 0.8515(5) 0.0338(13) Uani 1 1 d . . .
H13 H 0.8059 -0.0953 0.8787 0.041 Uiso 1 1 calc R . .
C14 C 0.6389(7) -0.0523(4) 0.7438(4) 0.0252(11) Uani 1 1 d . . .
C15 C 0.5389(6) 0.0316(4) 0.7034(4) 0.0221(10) Uani 1 1 d . . .
C16 C 0.6576(7) -0.1527(4) 0.6774(4) 0.0258(11) Uani 1 1 d . . .
C17 C 0.4851(8) -0.6024(5) 0.2407(5) 0.0313(13) Uani 1 1 d . . .
H17 H 0.5094 -0.5815 0.3144 0.038 Uiso 1 1 calc R . .
C18 C 0.5518(8) -0.6932(5) 0.2072(5) 0.0372(14) Uani 1 1 d . . .
H18 H 0.6196 -0.7333 0.2576 0.045 Uiso 1 1 calc R . .
C19 C 0.5164(9) -0.7227(5) 0.0991(5) 0.0394(15) Uani 1 1 d . . .
H19 H 0.5590 -0.7839 0.0753 0.047 Uiso 1 1 calc R . .
C20 C 0.4171(8) -0.6618(5) 0.0245(5) 0.0325(13) Uani 1 1 d . . .
H20 H 0.3937 -0.6807 -0.0494 0.039 Uiso 1 1 calc R . .
C21 C 0.1974(8) -0.5149(5) -0.1200(5) 0.0323(13) Uani 1 1 d . . .
H21 H 0.2382 -0.5696 -0.1556 0.039 Uiso 1 1 calc R . .
C22 C 0.0916(8) -0.4452(5) -0.1780(5) 0.0366(14) Uani 1 1 d . . .
H22 H 0.0588 -0.4533 -0.2533 0.044 Uiso 1 1 calc R . .
C23 C 0.0345(8) -0.3634(5) -0.1240(5) 0.0380(14) Uani 1 1 d . . .
H23 H -0.0366 -0.3154 -0.1618 0.046 Uiso 1 1 calc R . .
C24 C 0.0861(7) -0.3546(5) -0.0113(5) 0.0293(12) Uani 1 1 d . . .
H24 H 0.0488 -0.2994 0.0259 0.035 Uiso 1 1 calc R . .
C25 C 0.2424(7) -0.5021(4) -0.0076(4) 0.0239(11) Uani 1 1 d . . .
C26 C 0.3537(7) -0.5722(4) 0.0627(4) 0.0239(11) Uani 1 1 d . . .
N1 N 0.3872(6) -0.5447(3) 0.1697(4) 0.0239(9) Uani 1 1 d . . .
N2 N 0.1870(6) -0.4223(4) 0.0454(3) 0.0232(9) Uani 1 1 d . . .
O1 O 0.2870(5) -0.2214(3) 0.3877(3) 0.0240(8) Uani 1 1 d . . .
O2 O 0.1412(5) -0.2981(3) 0.2258(3) 0.0268(8) Uani 1 1 d . . .
O3 O 0.1888(4) -0.0229(3) 0.4415(3) 0.0223(8) Uani 1 1 d . . .
O4 O 0.0556(5) 0.1706(3) 0.4737(3) 0.0287(9) Uani 1 1 d . . .
O5 O -0.2084(5) 0.1725(3) 0.3804(3) 0.0294(9) Uani 1 1 d . . .
O6 O 0.3315(5) 0.2195(3) 0.6497(3) 0.0297(9) Uani 1 1 d . . .
O7 O 0.4977(5) 0.3084(3) 0.7959(3) 0.0308(9) Uani 1 1 d . . .
O8 O 0.4402(5) 0.0217(3) 0.5995(3) 0.0227(8) Uani 1 1 d . . .
O9 O 0.5660(5) -0.1743(3) 0.5768(3) 0.0277(8) Uani 1 1 d . . .
O10 O 0.7644(6) -0.2125(4) 0.7193(4) 0.0417(11) Uani 1 1 d . . .
O1W O 0.3576(7) -0.4332(4) 0.3617(3) 0.0423(12) Uani 1 1 d D . .
H1WA H 0.296(9) -0.486(4) 0.364(7) 0.063 Uiso 1 1 d D . .
H1WB H 0.339(10) -0.379(3) 0.397(6) 0.063 Uiso 1 1 d D . .
O2W O 0.1690(8) 0.4177(4) 0.6122(5) 0.0551(14) Uani 1 1 d D . .
O3W O 0.2085(9) 0.3976(4) 0.3965(5) 0.0613(16) Uani 1 1 d D . .
O4W O 0.1707(8) 0.6171(4) 0.5147(5) 0.0530(13) Uani 1 1 d D . .
Cu3 Cu 0.28508(8) -0.41164(5) 0.20850(5) 0.02281(19) Uiso 1 1 d . . .
H2WB H 0.226(6) 0.365(4) 0.627(6) 0.06(2) Uiso 1 1 d D . .
H2WA H 0.067(3) 0.399(5) 0.582(6) 0.04(2) Uiso 1 1 d D . .
H4WB H 0.154(12) 0.572(4) 0.555(5) 0.07(3) Uiso 1 1 d D . .
H4WA H 0.191(12) 0.678(3) 0.550(6) 0.08(3) Uiso 1 1 d D . .
H3WA H 0.221(10) 0.337(3) 0.368(6) 0.05(2) Uiso 1 1 d D . .
H3WB H 0.25(2) 0.400(8) 0.4652(17) 0.18(7) Uiso 1 1 d D . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cu1 0.0222(3) 0.0187(3) 0.0217(3) -0.0031(2) 0.0013(3) 0.0062(2)
Cu2 0.0201(3) 0.0186(3) 0.0189(3) -0.0024(2) 0.0008(2) 0.0066(2)
C1 0.024(3) 0.023(3) 0.016(2) -0.0001(19) 0.005(2) 0.003(2)
C2 0.019(2) 0.024(2) 0.019(2) 0.002(2) 0.005(2) 0.004(2)
C3 0.026(3) 0.030(3) 0.021(3) -0.005(2) 0.003(2) 0.002(2)
C4 0.024(3) 0.037(3) 0.020(3) -0.002(2) -0.002(2) 0.005(2)
C5 0.022(3) 0.029(3) 0.027(3) 0.006(2) 0.006(2) 0.010(2)
C6 0.021(2) 0.020(2) 0.022(2) 0.0027(19) 0.006(2) 0.003(2)
C7 0.017(2) 0.022(2) 0.019(2) 0.0018(19) 0.0048(19) 0.0026(19)
C8 0.024(3) 0.019(2) 0.025(3) 0.007(2) 0.006(2) 0.008(2)
C9 0.027(3) 0.023(3) 0.021(3) -0.005(2) 0.011(2) -0.003(2)
C10 0.022(3) 0.026(3) 0.023(3) -0.001(2) 0.006(2) -0.002(2)
C11 0.037(3) 0.037(3) 0.018(3) -0.003(2) 0.005(2) -0.002(3)
C12 0.045(4) 0.048(4) 0.015(3) 0.000(2) -0.001(3) 0.000(3)
C13 0.042(3) 0.034(3) 0.021(3) 0.007(2) 0.002(3) 0.009(3)
C14 0.027(3) 0.026(3) 0.021(3) 0.002(2) 0.005(2) 0.004(2)
C15 0.018(2) 0.028(3) 0.019(2) 0.002(2) 0.004(2) -0.001(2)
C16 0.026(3) 0.026(3) 0.025(3) 0.006(2) 0.007(2) 0.004(2)
C17 0.036(3) 0.032(3) 0.024(3) 0.004(2) 0.006(2) 0.013(3)
C18 0.040(3) 0.036(3) 0.037(3) 0.010(3) 0.012(3) 0.018(3)
C19 0.050(4) 0.030(3) 0.042(4) -0.003(3) 0.019(3) 0.015(3)
C20 0.038(3) 0.029(3) 0.029(3) -0.005(2) 0.009(3) 0.009(3)
C21 0.037(3) 0.035(3) 0.024(3) -0.002(2) 0.010(2) 0.004(3)
C22 0.041(3) 0.046(4) 0.020(3) 0.004(3) 0.005(2) 0.004(3)
C23 0.040(3) 0.044(4) 0.027(3) 0.014(3) 0.003(3) 0.010(3)
C24 0.029(3) 0.029(3) 0.025(3) -0.001(2) 0.003(2) 0.005(2)
C25 0.025(3) 0.023(3) 0.020(2) -0.003(2) 0.004(2) 0.000(2)
C26 0.027(3) 0.022(3) 0.020(3) -0.005(2) 0.007(2) 0.001(2)
N1 0.029(2) 0.016(2) 0.024(2) -0.0034(17) 0.0074(19) 0.0067(18)
N2 0.022(2) 0.024(2) 0.019(2) -0.0024(17) 0.0022(18) 0.0036(18)
O1 0.0259(19) 0.0202(18) 0.0216(18) -0.0011(14) 0.0022(15) 0.0059(15)
O2 0.0265(19) 0.0248(19) 0.0249(19) -0.0061(15) 0.0039(16) 0.0089(16)
O3 0.0183(17) 0.0222(18) 0.0199(18) -0.0031(14) -0.0021(14) 0.0067(14)
O4 0.028(2) 0.0224(19) 0.028(2) -0.0051(15) 0.0006(17) 0.0100(16)
O5 0.028(2) 0.029(2) 0.029(2) 0.0024(16) 0.0052(17) 0.0116(17)
O6 0.033(2) 0.0211(19) 0.027(2) -0.0063(15) 0.0003(17) 0.0077(16)
O7 0.033(2) 0.025(2) 0.031(2) -0.0095(16) 0.0092(18) -0.0025(17)
O8 0.0242(19) 0.0193(17) 0.0183(17) -0.0036(14) -0.0011(15) 0.0055(15)
O9 0.026(2) 0.027(2) 0.026(2) 0.0002(16) 0.0018(16) 0.0105(16)
O10 0.044(3) 0.040(2) 0.033(2) 0.0046(19) -0.001(2) 0.024(2)
O1W 0.070(3) 0.033(2) 0.023(2) 0.0007(18) 0.012(2) 0.022(2)
O2W 0.067(4) 0.041(3) 0.054(3) 0.008(2) 0.012(3) 0.015(3)
O3W 0.107(5) 0.038(3) 0.048(3) 0.005(2) 0.035(3) 0.019(3)
O4W 0.077(4) 0.034(3) 0.054(3) 0.000(2) 0.031(3) 0.009(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O4 1.879(4) . ?
Cu1 O6 1.886(4) . ?
Cu1 O3 1.923(4) . ?
Cu1 O8 1.930(4) . ?
Cu1 Cu2 2.9649(9) . ?
Cu2 O9 1.893(4) . ?
Cu2 O1 1.923(4) . ?
Cu2 O3 1.924(3) . ?
Cu2 O8 1.942(4) . ?
C1 O1 1.257(6) . ?
C1 O2 1.269(6) . ?
C1 C2 1.503(7) . ?
C2 C3 1.402(7) . ?
C2 C7 1.406(7) . ?
C3 C4 1.376(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.396(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.414(7) . ?
C6 C8 1.505(7) . ?
C7 O3 1.339(6) . ?
C8 O5 1.250(6) . ?
C8 O4 1.272(7) . ?
C9 O7 1.242(6) . ?
C9 O6 1.265(7) . ?
C9 C10 1.511(8) . ?
C10 C11 1.397(8) . ?
C10 C15 1.404(7) . ?
C11 C12 1.368(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.393(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.394(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.413(8) . ?
C14 C16 1.509(8) . ?
C15 O8 1.346(6) . ?
C16 O10 1.223(7) . ?
C16 O9 1.300(7) . ?
C17 N1 1.327(7) . ?
C17 C18 1.386(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.362(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.383(9) . ?
C19 H19 0.9300 . ?
C20 C26 1.383(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.378(9) . ?
C21 C25 1.390(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.380(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.392(8) . ?
C23 H23 0.9300 . ?
C24 N2 1.332(7) . ?
C24 H24 0.9300 . ?
C25 N2 1.346(7) . ?
C25 C26 1.476(8) . ?
C26 N1 1.346(7) . ?
N1 Cu3 2.006(4) . ?
N2 Cu3 2.022(4) . ?
O2 Cu3 1.949(4) . ?
O7 Cu3 2.246(4) 2_656 ?
O1W Cu3 1.951(4) . ?
O1W H1WA 0.85(2) . ?
O1W H1WB 0.84(2) . ?
O2W H2WB 0.84(2) . ?
O2W H2WA 0.85(2) . ?
O3W H3WA 0.85(2) . ?
O3W H3WB 0.85(2) . ?
O4W H4WB 0.85(2) . ?
O4W H4WA 0.85(2) . ?
Cu3 O7 2.246(4) 2_656 ?

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
O4 Cu1 O6 92.84(17) . . ?
O4 Cu1 O3 93.54(16) . . ?
O6 Cu1 O3 171.07(16) . . ?
O4 Cu1 O8 171.71(17) . . ?
O6 Cu1 O8 93.38(16) . . ?
O3 Cu1 O8 79.70(15) . . ?
O4 Cu1 Cu2 132.66(12) . . ?
O6 Cu1 Cu2 132.99(12) . . ?
O3 Cu1 Cu2 39.59(10) . . ?
O8 Cu1 Cu2 40.19(10) . . ?
O9 Cu2 O1 96.11(16) . . ?
O9 Cu2 O3 169.36(17) . . ?
O1 Cu2 O3 91.73(15) . . ?
O9 Cu2 O8 91.60(16) . . ?
O1 Cu2 O8 166.41(16) . . ?
O3 Cu2 O8 79.35(15) . . ?
O9 Cu2 Cu1 131.42(12) . . ?
O1 Cu2 Cu1 130.90(11) . . ?
O3 Cu2 Cu1 39.56(11) . . ?
O8 Cu2 Cu1 39.87(11) . . ?
O1 C1 O2 121.5(5) . . ?
O1 C1 C2 123.0(5) . . ?
O2 C1 C2 115.5(4) . . ?
C3 C2 C7 119.1(5) . . ?
C3 C2 C1 116.5(5) . . ?
C7 C2 C1 124.4(5) . . ?
C4 C3 C2 121.1(5) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C3 C4 C5 119.6(5) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 121.5(5) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C7 118.7(5) . . ?
C5 C6 C8 116.5(5) . . ?
C7 C6 C8 124.8(5) . . ?
O3 C7 C2 120.7(4) . . ?
O3 C7 C6 119.4(5) . . ?
C2 C7 C6 119.8(5) . . ?
O5 C8 O4 120.5(5) . . ?
O5 C8 C6 117.4(5) . . ?
O4 C8 C6 122.1(5) . . ?
O7 C9 O6 120.4(5) . . ?
O7 C9 C10 117.8(5) . . ?
O6 C9 C10 121.8(5) . . ?
C11 C10 C15 118.9(5) . . ?
C11 C10 C9 116.2(5) . . ?
C15 C10 C9 124.9(5) . . ?
C12 C11 C10 122.2(6) . . ?
C12 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
C11 C12 C13 118.7(5) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C12 C13 C14 121.5(6) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C13 C14 C15 118.9(5) . . ?
C13 C14 C16 115.5(5) . . ?
C15 C14 C16 125.3(5) . . ?
O8 C15 C10 120.3(5) . . ?
O8 C15 C14 119.9(5) . . ?
C10 C15 C14 119.7(5) . . ?
O10 C16 O9 120.3(5) . . ?
O10 C16 C14 118.5(5) . . ?
O9 C16 C14 121.2(5) . . ?
N1 C17 C18 121.3(5) . . ?
N1 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C19 C18 C17 118.9(6) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C18 C19 C20 120.2(6) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C26 C20 C19 118.4(5) . . ?
C26 C20 H20 120.8 . . ?
C19 C20 H20 120.8 . . ?
C22 C21 C25 119.0(6) . . ?
C22 C21 H21 120.5 . . ?
C25 C21 H21 120.5 . . ?
C21 C22 C23 119.7(6) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C24 118.2(6) . . ?
C22 C23 H23 120.9 . . ?
C24 C23 H23 120.9 . . ?
N2 C24 C23 122.5(5) . . ?
N2 C24 H24 118.8 . . ?
C23 C24 H24 118.8 . . ?
N2 C25 C21 121.4(5) . . ?
N2 C25 C26 114.9(5) . . ?
C21 C25 C26 123.8(5) . . ?
N1 C26 C20 121.0(5) . . ?
N1 C26 C25 114.9(5) . . ?
C20 C26 C25 124.0(5) . . ?
C17 N1 C26 120.2(5) . . ?
C17 N1 Cu3 124.9(4) . . ?
C26 N1 Cu3 114.9(4) . . ?
C24 N2 C25 119.3(5) . . ?
C24 N2 Cu3 126.2(4) . . ?
C25 N2 Cu3 114.3(4) . . ?
C1 O1 Cu2 129.6(3) . . ?
C1 O2 Cu3 128.9(3) . . ?
C7 O3 Cu1 128.9(3) . . ?
C7 O3 Cu2 130.1(3) . . ?
Cu1 O3 Cu2 100.85(16) . . ?
C8 O4 Cu1 128.2(3) . . ?
C9 O6 Cu1 128.7(4) . . ?
C9 O7 Cu3 121.4(4) . 2_656 ?
C15 O8 Cu1 126.5(3) . . ?
C15 O8 Cu2 125.8(3) . . ?
Cu1 O8 Cu2 99.94(16) . . ?
C16 O9 Cu2 126.5(4) . . ?
Cu3 O1W H1WA 103(6) . . ?
Cu3 O1W H1WB 109(6) . . ?
H1WA O1W H1WB 110(3) . . ?
H2WB O2W H2WA 111(3) . . ?
H3WA O3W H3WB 110(3) . . ?
H4WB O4W H4WA 109(3) . . ?
O2 Cu3 O1W 94.07(18) . . ?
O2 Cu3 N1 167.63(17) . . ?
O1W Cu3 N1 91.86(19) . . ?
O2 Cu3 N2 91.37(17) . . ?
O1W Cu3 N2 167.3(2) . . ?
N1 Cu3 N2 80.76(18) . . ?
O2 Cu3 O7 97.63(16) . 2_656 ?
O1W Cu3 O7 99.6(2) . 2_656 ?
N1 Cu3 O7 92.07(17) . 2_656 ?
N2 Cu3 O7 90.96(17) . 2_656 ?

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
O4 Cu1 Cu2 O9 -177.4(2) . . . . ?
O6 Cu1 Cu2 O9 -15.4(3) . . . . ?
O3 Cu1 Cu2 O9 171.8(2) . . . . ?
O8 Cu1 Cu2 O9 -3.5(2) . . . . ?
O4 Cu1 Cu2 O1 20.4(2) . . . . ?
O6 Cu1 Cu2 O1 -177.6(2) . . . . ?
O3 Cu1 Cu2 O1 9.7(2) . . . . ?
O8 Cu1 Cu2 O1 -165.7(2) . . . . ?
O4 Cu1 Cu2 O3 10.7(2) . . . . ?
O6 Cu1 Cu2 O3 172.7(3) . . . . ?
O8 Cu1 Cu2 O3 -175.4(2) . . . . ?
O4 Cu1 Cu2 O8 -173.9(3) . . . . ?
O6 Cu1 Cu2 O8 -11.9(3) . . . . ?
O3 Cu1 Cu2 O8 175.4(2) . . . . ?
O1 C1 C2 C3 -175.8(5) . . . . ?
O2 C1 C2 C3 4.7(7) . . . . ?
O1 C1 C2 C7 5.0(8) . . . . ?
O2 C1 C2 C7 -174.5(5) . . . . ?
C7 C2 C3 C4 -0.6(8) . . . . ?
C1 C2 C3 C4 -179.8(5) . . . . ?
C2 C3 C4 C5 -1.9(9) . . . . ?
C3 C4 C5 C6 1.6(9) . . . . ?
C4 C5 C6 C7 1.2(8) . . . . ?
C4 C5 C6 C8 -177.7(5) . . . . ?
C3 C2 C7 O3 -177.5(5) . . . . ?
C1 C2 C7 O3 1.7(8) . . . . ?
C3 C2 C7 C6 3.4(8) . . . . ?
C1 C2 C7 C6 -177.5(5) . . . . ?
C5 C6 C7 O3 177.2(5) . . . . ?
C8 C6 C7 O3 -4.0(8) . . . . ?
C5 C6 C7 C2 -3.6(7) . . . . ?
C8 C6 C7 C2 175.1(5) . . . . ?
C5 C6 C8 O5 17.3(7) . . . . ?
C7 C6 C8 O5 -161.5(5) . . . . ?
C5 C6 C8 O4 -162.6(5) . . . . ?
C7 C6 C8 O4 18.6(8) . . . . ?
O7 C9 C10 C11 13.1(7) . . . . ?
O6 C9 C10 C11 -165.9(5) . . . . ?
O7 C9 C10 C15 -164.8(5) . . . . ?
O6 C9 C10 C15 16.2(8) . . . . ?
C15 C10 C11 C12 -0.8(9) . . . . ?
C9 C10 C11 C12 -178.8(6) . . . . ?
C10 C11 C12 C13 1.9(10) . . . . ?
C11 C12 C13 C14 -1.3(10) . . . . ?
C12 C13 C14 C15 -0.5(9) . . . . ?
C12 C13 C14 C16 174.4(6) . . . . ?
C11 C10 C15 O8 -179.2(5) . . . . ?
C9 C10 C15 O8 -1.3(8) . . . . ?
C11 C10 C15 C14 -1.1(8) . . . . ?
C9 C10 C15 C14 176.8(5) . . . . ?
C13 C14 C15 O8 179.8(5) . . . . ?
C16 C14 C15 O8 5.4(8) . . . . ?
C13 C14 C15 C10 1.7(8) . . . . ?
C16 C14 C15 C10 -172.7(5) . . . . ?
C13 C14 C16 O10 -4.0(8) . . . . ?
C15 C14 C16 O10 170.6(6) . . . . ?
C13 C14 C16 O9 178.0(5) . . . . ?
C15 C14 C16 O9 -7.4(9) . . . . ?
N1 C17 C18 C19 0.5(10) . . . . ?
C17 C18 C19 C20 0.8(10) . . . . ?
C18 C19 C20 C26 -1.0(10) . . . . ?
C25 C21 C22 C23 1.1(10) . . . . ?
C21 C22 C23 C24 -0.3(10) . . . . ?
C22 C23 C24 N2 -0.4(10) . . . . ?
C22 C21 C25 N2 -1.2(9) . . . . ?
C22 C21 C25 C26 179.5(6) . . . . ?
C19 C20 C26 N1 -0.1(9) . . . . ?
C19 C20 C26 C25 -178.1(6) . . . . ?
N2 C25 C26 N1 -1.6(7) . . . . ?
C21 C25 C26 N1 177.7(5) . . . . ?
N2 C25 C26 C20 176.6(5) . . . . ?
C21 C25 C26 C20 -4.1(9) . . . . ?
C18 C17 N1 C26 -1.6(9) . . . . ?
C18 C17 N1 Cu3 -179.5(5) . . . . ?
C20 C26 N1 C17 1.4(9) . . . . ?
C25 C26 N1 C17 179.6(5) . . . . ?
C20 C26 N1 Cu3 179.5(4) . . . . ?
C25 C26 N1 Cu3 -2.2(6) . . . . ?
C23 C24 N2 C25 0.3(9) . . . . ?
C23 C24 N2 Cu3 174.9(5) . . . . ?
C21 C25 N2 C24 0.5(8) . . . . ?
C26 C25 N2 C24 179.8(5) . . . . ?
C21 C25 N2 Cu3 -174.7(4) . . . . ?
C26 C25 N2 Cu3 4.6(6) . . . . ?
O2 C1 O1 Cu2 172.5(4) . . . . ?
C2 C1 O1 Cu2 -6.9(8) . . . . ?
O9 Cu2 O1 C1 -170.1(5) . . . . ?
O3 Cu2 O1 C1 2.7(5) . . . . ?
O8 Cu2 O1 C1 -45.9(9) . . . . ?
Cu1 Cu2 O1 C1 -3.4(5) . . . . ?
O1 C1 O2 Cu3 -10.2(8) . . . . ?
C2 C1 O2 Cu3 169.3(3) . . . . ?
C2 C7 O3 Cu1 169.7(4) . . . . ?
C6 C7 O3 Cu1 -11.1(7) . . . . ?
C2 C7 O3 Cu2 -6.2(7) . . . . ?
C6 C7 O3 Cu2 172.9(4) . . . . ?
O4 Cu1 O3 C7 11.0(4) . . . . ?
O6 Cu1 O3 C7 146.6(10) . . . . ?
O8 Cu1 O3 C7 -173.8(5) . . . . ?
Cu2 Cu1 O3 C7 -176.8(5) . . . . ?
O4 Cu1 O3 Cu2 -172.12(18) . . . . ?
O6 Cu1 O3 Cu2 -36.6(12) . . . . ?
O8 Cu1 O3 Cu2 3.03(16) . . . . ?
O9 Cu2 O3 C7 141.6(8) . . . . ?
O1 Cu2 O3 C7 4.1(4) . . . . ?
O8 Cu2 O3 C7 173.8(5) . . . . ?
Cu1 Cu2 O3 C7 176.8(5) . . . . ?
O9 Cu2 O3 Cu1 -35.2(10) . . . . ?
O1 Cu2 O3 Cu1 -172.69(18) . . . . ?
O8 Cu2 O3 Cu1 -3.02(16) . . . . ?
O5 C8 O4 Cu1 163.3(4) . . . . ?
C6 C8 O4 Cu1 -16.8(8) . . . . ?
O6 Cu1 O4 C8 -170.1(5) . . . . ?
O3 Cu1 O4 C8 3.7(5) . . . . ?
O8 Cu1 O4 C8 -31.5(14) . . . . ?
Cu2 Cu1 O4 C8 -3.1(6) . . . . ?
O7 C9 O6 Cu1 172.2(4) . . . . ?
C10 C9 O6 Cu1 -8.8(8) . . . . ?
O4 Cu1 O6 C9 168.1(5) . . . . ?
O3 Cu1 O6 C9 32.5(14) . . . . ?
O8 Cu1 O6 C9 -6.4(5) . . . . ?
Cu2 Cu1 O6 C9 1.3(6) . . . . ?
O6 C9 O7 Cu3 -99.5(5) . . . 2_656 ?
C10 C9 O7 Cu3 81.6(5) . . . 2_656 ?
C10 C15 O8 Cu1 -19.1(7) . . . . ?
C14 C15 O8 Cu1 162.7(4) . . . . ?
C10 C15 O8 Cu2 -162.2(4) . . . . ?
C14 C15 O8 Cu2 19.7(7) . . . . ?
O4 Cu1 O8 C15 -117.6(11) . . . . ?
O6 Cu1 O8 C15 21.0(4) . . . . ?
O3 Cu1 O8 C15 -153.4(4) . . . . ?
Cu2 Cu1 O8 C15 -150.4(5) . . . . ?
O4 Cu1 O8 Cu2 32.8(12) . . . . ?
O6 Cu1 O8 Cu2 171.32(18) . . . . ?
O3 Cu1 O8 Cu2 -3.00(16) . . . . ?
O9 Cu2 O8 C15 -32.0(4) . . . . ?
O1 Cu2 O8 C15 -156.7(6) . . . . ?
O3 Cu2 O8 C15 153.6(4) . . . . ?
Cu1 Cu2 O8 C15 150.6(5) . . . . ?
O9 Cu2 O8 Cu1 177.35(18) . . . . ?
O1 Cu2 O8 Cu1 52.7(7) . . . . ?
O3 Cu2 O8 Cu1 3.00(16) . . . . ?
O10 C16 O9 Cu2 165.3(4) . . . . ?
C14 C16 O9 Cu2 -16.7(7) . . . . ?
O1 Cu2 O9 C16 -161.0(4) . . . . ?
O3 Cu2 O9 C16 61.7(11) . . . . ?
O8 Cu2 O9 C16 30.2(5) . . . . ?
Cu1 Cu2 O9 C16 32.4(5) . . . . ?
C1 O2 Cu3 O1W 39.7(5) . . . . ?
C1 O2 Cu3 N1 158.1(7) . . . . ?
C1 O2 Cu3 N2 -151.8(5) . . . . ?
C1 O2 Cu3 O7 -60.6(5) . . . 2_656 ?
C17 N1 Cu3 O2 -127.3(8) . . . . ?
C26 N1 Cu3 O2 54.7(10) . . . . ?
C17 N1 Cu3 O1W -8.6(5) . . . . ?
C26 N1 Cu3 O1W 173.3(4) . . . . ?
C17 N1 Cu3 N2 -178.3(5) . . . . ?
C26 N1 Cu3 N2 3.6(4) . . . . ?
C17 N1 Cu3 O7 91.1(5) . . . 2_656 ?
C26 N1 Cu3 O7 -87.0(4) . . . 2_656 ?
C24 N2 Cu3 O2 10.2(5) . . . . ?
C25 N2 Cu3 O2 -174.9(4) . . . . ?
C24 N2 Cu3 O1W 125.7(9) . . . . ?
C25 N2 Cu3 O1W -59.5(10) . . . . ?
C24 N2 Cu3 N1 -179.4(5) . . . . ?
C25 N2 Cu3 N1 -4.5(4) . . . . ?
C24 N2 Cu3 O7 -87.4(5) . . . 2_656 ?
C25 N2 Cu3 O7 87.4(4) . . . 2_656 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         3.757
_refine_diff_density_min         -2.628
_refine_diff_density_rms         0.211
#End of Crystallographic Information File