# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005


data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Enbo Wang'
_publ_contact_author_address     
;
Institute of Polyoxometalate Chemistry, Department of Chemistry
Northeast Normal University
Changchun
130024
CHINA
;

_publ_contact_author_email       ENBOWANG@HOTMAIL.COM

_publ_section_title              
;
An unprecedented fivefold interpenetrated lvt network
containing the exceptional racemic motifs originated from nine
interwoven helices
;
loop_
_publ_author_name
'Enbo Wang'
'Yangguang Li'
'Chao Qin'
'Zhongmin Su'
'Xin-long Wang'

data_www
_database_code_depnum_ccdc_archive 'CCDC 278407'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '(C28 H20 Cu2 O12), H 0.5O'
_chemical_formula_sum            'C28 H21 Cu2 O12.50'
_chemical_formula_weight         684.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_symmetry_Int_Tables_number      82

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'

_cell_length_a                   17.832(3)
_cell_length_b                   17.832(3)
_cell_length_c                   16.876(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5366.5(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    26027
_cell_measurement_theta_min      3.23
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2776
_exptl_absorpt_coefficient_mu    1.655
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_T_max  0.673
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotation anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_detector_area_resol_mean 0.01
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26027
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.23
_diffrn_reflns_theta_max         27.48
_reflns_number_total             6143
_reflns_number_gt                5808
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'RAPID AUTO'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0344P)^2^+2.5073P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(3)
_refine_ls_number_reflns         6143
_refine_ls_number_parameters     385
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0268
_refine_ls_wR_factor_ref         0.0620
_refine_ls_wR_factor_gt          0.0612
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.002
_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 0.308316(15) 0.998939(15) 0.184120(17) 0.01263(7) Uani 1 1 d . . .
Cu2 Cu 0.209137(15) 1.004917(15) 0.070862(17) 0.01242(7) Uani 1 1 d . . .
C1 C 0.21772(14) 0.86698(14) 0.14555(15) 0.0167(5) Uani 1 1 d . . .
C2 C 0.20148(14) 0.78656(13) 0.15972(15) 0.0151(5) Uani 1 1 d . . .
C3 C 0.13811(16) 0.75272(15) 0.12818(18) 0.0231(6) Uani 1 1 d . . .
H3A H 0.1032 0.7815 0.1008 0.028 Uiso 1 1 calc R . .
C4 C 0.12650(16) 0.67626(15) 0.13728(18) 0.0246(6) Uani 1 1 d . . .
H4A H 0.0841 0.6537 0.1159 0.030 Uiso 1 1 calc R . .
C5 C 0.17787(15) 0.63437(13) 0.17789(16) 0.0177(5) Uani 1 1 d . . .
C6 C 0.23898(15) 0.66735(14) 0.21296(19) 0.0227(6) Uani 1 1 d . . .
H6A H 0.2720 0.6386 0.2429 0.027 Uiso 1 1 calc R . .
C7 C 0.25128(15) 0.74360(14) 0.20368(17) 0.0217(6) Uani 1 1 d . . .
H7A H 0.2929 0.7660 0.2269 0.026 Uiso 1 1 calc R . .
C8 C 0.36006(15) 0.95612(14) 0.03429(17) 0.0208(6) Uani 1 1 d . . .
C9 C 0.41437(15) 0.92403(15) -0.02401(16) 0.0194(5) Uani 1 1 d . . .
C10 C 0.47931(16) 0.88824(18) 0.00144(18) 0.0280(6) Uani 1 1 d . . .
H10A H 0.4901 0.8864 0.0553 0.034 Uiso 1 1 calc R . .
C11 C 0.52803(16) 0.85540(19) -0.05191(17) 0.0296(7) Uani 1 1 d . . .
H11A H 0.5700 0.8294 -0.0342 0.036 Uiso 1 1 calc R . .
C12 C 0.51325(14) 0.86197(15) -0.13228(16) 0.0182(5) Uani 1 1 d . . .
C13 C 0.44920(15) 0.89688(16) -0.15872(17) 0.0230(6) Uani 1 1 d . . .
H13A H 0.4395 0.9004 -0.2127 0.028 Uiso 1 1 calc R . .
C14 C 0.39935(15) 0.92670(16) -0.10457(17) 0.0242(6) Uani 1 1 d . . .
H14A H 0.3552 0.9488 -0.1223 0.029 Uiso 1 1 calc R . .
C15 C 0.16076(14) 1.04640(14) 0.22679(15) 0.0162(5) Uani 1 1 d . . .
C16 C 0.10305(14) 1.07813(14) 0.28181(16) 0.0167(5) Uani 1 1 d . . .
C17 C 0.03931(15) 1.11176(15) 0.25165(17) 0.0197(5) Uani 1 1 d . . .
H17A H 0.0318 1.1126 0.1971 0.024 Uiso 1 1 calc R . .
C18 C -0.01353(14) 1.14425(15) 0.30083(16) 0.0207(5) Uani 1 1 d . . .
H18A H -0.0552 1.1685 0.2799 0.025 Uiso 1 1 calc R . .
C19 C -0.00295(14) 1.13983(15) 0.38214(16) 0.0177(5) Uani 1 1 d . . .
C20 C 0.06011(14) 1.10689(15) 0.41334(16) 0.0210(6) Uani 1 1 d . . .
H20A H 0.0666 1.1047 0.4680 0.025 Uiso 1 1 calc R . .
C21 C 0.11432(14) 1.07677(15) 0.36322(16) 0.0193(5) Uani 1 1 d . . .
H21A H 0.1578 1.0559 0.3841 0.023 Uiso 1 1 calc R . .
C22 C 0.29511(14) 1.13788(14) 0.10680(15) 0.0161(5) Uani 1 1 d . . .
C23 C 0.30761(14) 1.21953(13) 0.09400(15) 0.0155(5) Uani 1 1 d . . .
C24 C 0.25461(16) 1.26047(15) 0.05173(17) 0.0237(6) Uani 1 1 d . . .
H24A H 0.2140 1.2360 0.0288 0.028 Uiso 1 1 calc R . .
C25 C 0.26188(16) 1.33698(15) 0.04361(19) 0.0239(6) Uani 1 1 d . . .
H25A H 0.2263 1.3642 0.0155 0.029 Uiso 1 1 calc R . .
C26 C 0.32271(14) 1.37305(13) 0.07778(17) 0.0174(5) Uani 1 1 d . . .
C27 C 0.37688(15) 1.33343(14) 0.11829(16) 0.0187(5) Uani 1 1 d . . .
H27A H 0.4182 1.3580 0.1397 0.022 Uiso 1 1 calc R . .
C28 C 0.36888(14) 1.25611(14) 0.12670(16) 0.0178(5) Uani 1 1 d . . .
H28A H 0.4048 1.2289 0.1544 0.021 Uiso 1 1 calc R . .
O1 O 0.26521(10) 0.89797(9) 0.18969(12) 0.0193(4) Uani 1 1 d . . .
O2 O 0.18387(10) 0.89956(10) 0.08842(11) 0.0199(4) Uani 1 1 d . . .
O1W O 0.12928(11) 1.03583(11) -0.01849(12) 0.0258(4) Uani 1 1 d D . .
H1 H 0.0910 1.0172 -0.0383 0.039 Uiso 1 1 d RD . .
H2 H 0.1251 1.0831 -0.0277 0.039 Uiso 1 1 d RD . .
O3 O 0.38057(11) 0.96082(11) 0.10633(11) 0.0240(4) Uani 1 1 d . . .
O2W O 0.38673(11) 0.98490(11) 0.28241(12) 0.0277(5) Uani 1 1 d D . .
H3 H 0.3861 0.9467 0.3027 0.042 Uiso 1 1 d RD . .
H4 H 0.4098 1.0181 0.2950 0.042 Uiso 1 1 d RD . .
O4 O 0.29698(11) 0.97562(11) 0.00816(12) 0.0256(4) Uani 1 1 d . . .
O3W O 0.0000 1.0000 -0.09479(15) 0.0208(5) Uani 1 2 d SD . .
H5 H 0.0138 0.9593 -0.1263 0.045(10) Uiso 1 1 d RD . .
O5 O 0.33759(10) 1.10238(10) 0.15451(11) 0.0180(4) Uani 1 1 d . . .
O6 O 0.24107(10) 1.10879(9) 0.06994(13) 0.0208(4) Uani 1 1 d . . .
O7 O 0.22679(10) 1.03854(10) 0.25124(11) 0.0190(4) Uani 1 1 d . . .
O8 O 0.13850(10) 1.03056(11) 0.15749(11) 0.0197(4) Uani 1 1 d . . .
O9 O 0.16960(11) 0.55798(9) 0.19057(11) 0.0214(4) Uani 1 1 d . . .
O10 O -0.05079(9) 1.17255(11) 0.43664(12) 0.0226(4) 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 0.01106(13) 0.01101(13) 0.01582(14) -0.00141(11) 0.00052(12) -0.00005(11)
Cu2 0.01120(13) 0.01079(13) 0.01525(14) -0.00094(11) 0.00027(12) -0.00097(11)
C1 0.0186(12) 0.0131(11) 0.0185(13) -0.0002(10) 0.0045(10) 0.0001(9)
C2 0.0187(12) 0.0109(11) 0.0156(12) -0.0014(9) 0.0015(9) -0.0044(9)
C3 0.0243(13) 0.0160(12) 0.0289(15) 0.0059(11) -0.0107(12) -0.0009(10)
C4 0.0251(14) 0.0169(12) 0.0319(15) 0.0029(12) -0.0117(12) -0.0100(11)
C5 0.0261(12) 0.0113(11) 0.0157(12) 0.0009(10) -0.0007(11) -0.0027(9)
C6 0.0213(13) 0.0147(12) 0.0321(15) -0.0002(11) -0.0096(12) 0.0003(10)
C7 0.0210(12) 0.0138(11) 0.0302(15) -0.0023(11) -0.0095(11) -0.0033(9)
C8 0.0191(13) 0.0127(12) 0.0307(15) -0.0025(11) 0.0096(11) -0.0016(10)
C9 0.0172(12) 0.0189(12) 0.0220(13) -0.0060(11) 0.0068(10) -0.0018(10)
C10 0.0202(13) 0.0440(17) 0.0198(14) -0.0074(13) -0.0011(11) 0.0059(13)
C11 0.0191(13) 0.0468(18) 0.0229(15) -0.0039(13) -0.0021(11) 0.0118(12)
C12 0.0121(11) 0.0211(12) 0.0213(13) -0.0034(11) 0.0018(10) 0.0025(10)
C13 0.0195(13) 0.0292(14) 0.0203(14) -0.0008(11) -0.0002(10) 0.0053(11)
C14 0.0141(12) 0.0278(14) 0.0308(15) 0.0013(12) 0.0029(11) 0.0070(11)
C15 0.0179(12) 0.0127(11) 0.0180(12) -0.0009(9) 0.0033(10) -0.0003(9)
C16 0.0147(11) 0.0152(11) 0.0203(12) -0.0002(10) 0.0033(10) 0.0013(9)
C17 0.0191(12) 0.0226(13) 0.0172(12) -0.0031(11) -0.0002(10) -0.0010(10)
C18 0.0130(11) 0.0259(13) 0.0232(14) -0.0012(11) -0.0035(10) 0.0055(10)
C19 0.0102(11) 0.0218(12) 0.0212(13) -0.0043(10) 0.0030(10) -0.0006(10)
C20 0.0177(12) 0.0279(13) 0.0172(14) -0.0023(11) -0.0007(10) 0.0033(10)
C21 0.0137(11) 0.0234(13) 0.0208(13) -0.0033(11) -0.0005(10) 0.0048(10)
C22 0.0185(12) 0.0133(11) 0.0165(12) -0.0034(10) 0.0025(10) -0.0028(9)
C23 0.0167(11) 0.0128(11) 0.0169(13) -0.0013(9) 0.0013(9) -0.0003(9)
C24 0.0220(13) 0.0163(12) 0.0327(17) -0.0008(11) -0.0088(12) -0.0056(10)
C25 0.0217(13) 0.0170(13) 0.0329(16) 0.0036(11) -0.0110(12) 0.0004(10)
C26 0.0214(12) 0.0106(10) 0.0202(13) -0.0012(10) 0.0010(11) -0.0021(9)
C27 0.0187(12) 0.0160(12) 0.0215(14) -0.0033(10) -0.0060(10) -0.0044(10)
C28 0.0188(12) 0.0158(12) 0.0188(13) 0.0000(10) -0.0027(10) 0.0007(10)
O1 0.0219(9) 0.0150(8) 0.0212(9) 0.0003(8) -0.0036(8) -0.0045(7)
O2 0.0256(9) 0.0125(8) 0.0217(10) 0.0023(7) -0.0056(8) -0.0029(7)
O1W 0.0199(9) 0.0273(10) 0.0303(11) 0.0084(9) -0.0066(8) -0.0035(8)
O3 0.0215(10) 0.0262(10) 0.0244(10) -0.0072(8) 0.0072(8) 0.0008(8)
O2W 0.0301(11) 0.0195(9) 0.0335(11) 0.0084(8) -0.0137(9) -0.0042(8)
O4 0.0218(10) 0.0271(10) 0.0279(11) -0.0031(8) 0.0109(8) 0.0047(8)
O3W 0.0230(13) 0.0180(12) 0.0213(13) 0.000 0.000 0.0014(10)
O5 0.0180(9) 0.0136(8) 0.0225(10) 0.0024(7) -0.0054(7) -0.0020(7)
O6 0.0224(9) 0.0131(8) 0.0270(10) 0.0017(8) -0.0076(9) -0.0057(7)
O7 0.0134(8) 0.0226(9) 0.0210(9) -0.0031(8) 0.0009(7) 0.0032(7)
O8 0.0108(8) 0.0278(10) 0.0204(9) -0.0045(8) 0.0033(7) 0.0001(7)
O9 0.0351(10) 0.0103(8) 0.0189(9) 0.0007(7) -0.0081(9) -0.0060(7)
O10 0.0111(8) 0.0333(10) 0.0234(10) -0.0105(9) -0.0009(8) 0.0052(7)

_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 O1 1.9600(17) . ?
Cu1 O3 1.9610(19) . ?
Cu1 O7 1.9736(18) . ?
Cu1 O5 1.9810(18) . ?
Cu1 O2W 2.1839(19) . ?
Cu1 Cu2 2.6063(5) . ?
Cu2 O6 1.9378(17) . ?
Cu2 O2 1.9547(17) . ?
Cu2 O4 1.9612(19) . ?
Cu2 O8 1.9832(19) . ?
Cu2 O1W 2.1460(19) . ?
C1 O1 1.256(3) . ?
C1 O2 1.277(3) . ?
C1 C2 1.482(3) . ?
C2 C3 1.387(4) . ?
C2 C7 1.388(4) . ?
C3 C4 1.388(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.366(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.373(4) . ?
C5 O9 1.387(3) . ?
C6 C7 1.386(4) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 O4 1.257(3) . ?
C8 O3 1.272(3) . ?
C8 C9 1.494(4) . ?
C9 C14 1.387(4) . ?
C9 C10 1.390(4) . ?
C10 C11 1.381(4) . ?
C10 H10A 0.9300 . ?
C11 C12 1.387(4) . ?
C11 H11A 0.9300 . ?
C12 C13 1.375(4) . ?
C12 O9 1.386(3) 3_565 ?
C13 C14 1.381(4) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 O7 1.256(3) . ?
C15 O8 1.267(3) . ?
C15 C16 1.497(3) . ?
C16 C17 1.382(4) . ?
C16 C21 1.389(4) . ?
C17 C18 1.383(4) . ?
C17 H17A 0.9300 . ?
C18 C19 1.387(4) . ?
C18 H18A 0.9300 . ?
C19 C20 1.374(4) . ?
C19 O10 1.383(3) . ?
C20 C21 1.392(4) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 O6 1.259(3) . ?
C22 O5 1.274(3) . ?
C22 C23 1.489(3) . ?
C23 C28 1.387(4) . ?
C23 C24 1.391(4) . ?
C24 C25 1.377(4) . ?
C24 H24A 0.9300 . ?
C25 C26 1.387(4) . ?
C25 H25A 0.9300 . ?
C26 C27 1.378(4) . ?
C26 O10 1.382(3) 8_665 ?
C27 C28 1.393(4) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
O1W H1 0.8295 . ?
O1W H2 0.8612 . ?
O2W H3 0.7630 . ?
O2W H4 0.7510 . ?
O3W H5 0.9329 . ?
O9 C12 1.386(3) 4_655 ?
O10 C26 1.382(3) 7_365 ?

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
O1 Cu1 O3 88.36(8) . . ?
O1 Cu1 O7 90.70(8) . . ?
O3 Cu1 O7 172.85(8) . . ?
O1 Cu1 O5 166.12(8) . . ?
O3 Cu1 O5 88.90(8) . . ?
O7 Cu1 O5 90.33(8) . . ?
O1 Cu1 O2W 96.28(8) . . ?
O3 Cu1 O2W 92.75(8) . . ?
O7 Cu1 O2W 94.40(8) . . ?
O5 Cu1 O2W 97.44(7) . . ?
O1 Cu1 Cu2 78.85(6) . . ?
O3 Cu1 Cu2 88.23(6) . . ?
O7 Cu1 Cu2 84.63(6) . . ?
O5 Cu1 Cu2 87.47(5) . . ?
O2W Cu1 Cu2 175.01(5) . . ?
O6 Cu2 O2 170.99(8) . . ?
O6 Cu2 O4 90.90(9) . . ?
O2 Cu2 O4 90.56(8) . . ?
O6 Cu2 O8 88.40(8) . . ?
O2 Cu2 O8 87.91(8) . . ?
O4 Cu2 O8 165.11(8) . . ?
O6 Cu2 O1W 86.78(8) . . ?
O2 Cu2 O1W 101.56(8) . . ?
O4 Cu2 O1W 102.67(8) . . ?
O8 Cu2 O1W 92.14(7) . . ?
O6 Cu2 Cu1 81.12(6) . . ?
O2 Cu2 Cu1 90.34(5) . . ?
O4 Cu2 Cu1 80.96(6) . . ?
O8 Cu2 Cu1 84.25(6) . . ?
O1W Cu2 Cu1 167.45(6) . . ?
O1 C1 O2 124.5(2) . . ?
O1 C1 C2 117.5(2) . . ?
O2 C1 C2 118.0(2) . . ?
C3 C2 C7 119.1(2) . . ?
C3 C2 C1 121.2(2) . . ?
C7 C2 C1 119.7(2) . . ?
C2 C3 C4 120.4(3) . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 H3A 119.8 . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
C4 C5 C6 121.0(2) . . ?
C4 C5 O9 122.9(2) . . ?
C6 C5 O9 116.0(2) . . ?
C5 C6 C7 119.8(2) . . ?
C5 C6 H6A 120.1 . . ?
C7 C6 H6A 120.1 . . ?
C6 C7 C2 120.0(2) . . ?
C6 C7 H7A 120.0 . . ?
C2 C7 H7A 120.0 . . ?
O4 C8 O3 125.0(2) . . ?
O4 C8 C9 117.1(3) . . ?
O3 C8 C9 117.9(2) . . ?
C14 C9 C10 118.7(3) . . ?
C14 C9 C8 120.5(3) . . ?
C10 C9 C8 120.8(3) . . ?
C11 C10 C9 121.1(3) . . ?
C11 C10 H10A 119.4 . . ?
C9 C10 H10A 119.4 . . ?
C10 C11 C12 118.8(3) . . ?
C10 C11 H11A 120.6 . . ?
C12 C11 H11A 120.6 . . ?
C13 C12 O9 115.6(2) . 3_565 ?
C13 C12 C11 120.9(3) . . ?
O9 C12 C11 123.4(2) 3_565 . ?
C12 C13 C14 119.6(3) . . ?
C12 C13 H13A 120.2 . . ?
C14 C13 H13A 120.2 . . ?
C13 C14 C9 120.7(3) . . ?
C13 C14 H14A 119.6 . . ?
C9 C14 H14A 119.6 . . ?
O7 C15 O8 124.9(2) . . ?
O7 C15 C16 118.9(2) . . ?
O8 C15 C16 116.2(2) . . ?
C17 C16 C21 119.4(2) . . ?
C17 C16 C15 120.1(2) . . ?
C21 C16 C15 120.5(2) . . ?
C16 C17 C18 121.4(3) . . ?
C16 C17 H17A 119.3 . . ?
C18 C17 H17A 119.3 . . ?
C17 C18 C19 118.5(2) . . ?
C17 C18 H18A 120.7 . . ?
C19 C18 H18A 120.7 . . ?
C20 C19 O10 115.5(2) . . ?
C20 C19 C18 121.0(2) . . ?
O10 C19 C18 123.3(2) . . ?
C19 C20 C21 120.0(3) . . ?
C19 C20 H20A 120.0 . . ?
C21 C20 H20A 120.0 . . ?
C16 C21 C20 119.6(2) . . ?
C16 C21 H21A 120.2 . . ?
C20 C21 H21A 120.2 . . ?
O6 C22 O5 124.2(2) . . ?
O6 C22 C23 116.5(2) . . ?
O5 C22 C23 119.2(2) . . ?
C28 C23 C24 119.5(2) . . ?
C28 C23 C22 121.3(2) . . ?
C24 C23 C22 119.1(2) . . ?
C25 C24 C23 120.5(2) . . ?
C25 C24 H24A 119.8 . . ?
C23 C24 H24A 119.8 . . ?
C24 C25 C26 119.5(3) . . ?
C24 C25 H25A 120.3 . . ?
C26 C25 H25A 120.3 . . ?
C27 C26 O10 123.2(2) . 8_665 ?
C27 C26 C25 121.1(2) . . ?
O10 C26 C25 115.5(2) 8_665 . ?
C26 C27 C28 119.1(2) . . ?
C26 C27 H27A 120.5 . . ?
C28 C27 H27A 120.5 . . ?
C23 C28 C27 120.4(2) . . ?
C23 C28 H28A 119.8 . . ?
C27 C28 H28A 119.8 . . ?
C1 O1 Cu1 129.81(17) . . ?
C1 O2 Cu2 116.27(16) . . ?
Cu2 O1W H1 136.6 . . ?
Cu2 O1W H2 115.8 . . ?
H1 O1W H2 104.4 . . ?
C8 O3 Cu1 118.27(17) . . ?
Cu1 O2W H3 115.7 . . ?
Cu1 O2W H4 118.4 . . ?
H3 O2W H4 125.8 . . ?
C8 O4 Cu2 126.80(19) . . ?
C22 O5 Cu1 117.73(16) . . ?
C22 O6 Cu2 127.94(17) . . ?
C15 O7 Cu1 122.83(17) . . ?
C15 O8 Cu2 122.21(16) . . ?
C12 O9 C5 119.9(2) 4_655 . ?
C26 O10 C19 121.0(2) 7_365 . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.319
_refine_diff_density_min         -0.244
_refine_diff_density_rms         0.062