# Electronic Supplementary Material (ESI) for CrystEngComm # This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_name_full CrystEngComm _journal_coden_Cambridge 1350 _publ_contact_author_name 'Catalina Ruiz-Perez' _publ_contact_author_email CARUIZ@ULL.ES _publ_section_title ; Well-resolved unusual alternating cyclic water tetramers embedded in a crystal host ; loop_ _publ_author_name 'Catalina Ruiz-Perez' 'Laura Canadillas-Delgado' 'Fernando S. Delgado' 'Oscar Fabelo' ; M.Julve ; 'Ana Labrador' 'F Lloret' 'Jorge Pasan' # Attachment 'Compound-1.cif' data_test _database_code_depnum_ccdc_archive 'CCDC 692490' _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C10 H26 Co2 O20' _chemical_formula_weight 584.17 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' Co Co 0.3494 0.9721 '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 triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_int_tables_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.847(2) _cell_length_b 11.107(2) _cell_length_c 11.483(2) _cell_angle_alpha 82.93(3) _cell_angle_beta 63.02(3) _cell_angle_gamma 62.12(3) _cell_volume 1082.7(4) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prism _exptl_crystal_colour pink _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.09 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.792 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 600 _exptl_absorpt_coefficient_mu 1.626 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_probe x-ray _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.72930 _diffrn_source synchrotron _diffrn_source_type 'ESRF-CRG BM16' _diffrn_radiation_monochromator 'Si 111' _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 9.6 _diffrn_radiation_detector 'ADSC Q210r CCD (binned mode)' _diffrn_measurement_device_type 'Single-axis HUBER diffractometer' _diffrn_measurement_method 'CCD rotation images, thick slices' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 34999 _diffrn_reflns_av_R_equivalents 0.0472 _diffrn_reflns_av_sigmaI/netI 0.0219 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.38 _diffrn_reflns_theta_max 29.10 _reflns_number_total 4903 _reflns_number_gt 4632 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'MxCube (ESRF, 2006)' _computing_cell_refinement 'HKL2000 (Otwinowski & Minor, 1997)' _computing_data_reduction 'HKL2000 (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' _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^)+(0.0688P)^2^+0.2158P] 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 4903 _refine_ls_number_parameters 399 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0337 _refine_ls_R_factor_gt 0.0324 _refine_ls_wR_factor_ref 0.0987 _refine_ls_wR_factor_gt 0.0965 _refine_ls_goodness_of_fit_ref 1.075 _refine_ls_restrained_S_all 1.075 _refine_ls_shift/su_max 0.001 _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 C5 C 0.23695(11) 0.79757(11) 0.07461(11) 0.0110(2) Uani 1 1 d . . . C2 C 0.10942(12) 0.90291(11) 0.04101(11) 0.0108(2) Uani 1 1 d . . . C1 C -0.00351(12) 1.02975(11) 0.11726(11) 0.0112(2) Uani 1 1 d . . . C4 C -0.01793(12) 1.06993(11) 0.24429(11) 0.0119(2) Uani 1 1 d . . . C3 C 0.11089(12) 0.87540(10) -0.07475(11) 0.0117(2) Uani 1 1 d . . . C10 C 0.26531(11) 0.20263(11) -0.07593(11) 0.0108(2) Uani 1 1 d . . . C7 C 0.39192(12) 0.09733(10) -0.04157(11) 0.0106(2) Uani 1 1 d . . . C8 C 0.39640(12) 0.12807(10) 0.07006(11) 0.0117(2) Uani 1 1 d . . . C6 C 0.49708(12) -0.03280(11) -0.11318(11) 0.0110(2) Uani 1 1 d . . . C9 C 0.50375(11) -0.07429(11) -0.23652(11) 0.0112(2) Uani 1 1 d . . . Co2 Co 0.5000 0.5000 0.0000 0.00994(9) Uani 1 2 d S . . Co3 Co 0.5000 0.0000 -0.5000 0.01047(9) Uani 1 2 d S . . Co1 Co 0.0000 1.0000 0.5000 0.01035(9) Uani 1 2 d S . . Co4 Co 0.0000 0.5000 0.0000 0.01014(9) Uani 1 2 d S . . O7 O 0.21762(9) 0.32744(8) -0.04195(8) 0.01309(17) Uani 1 1 d . . . O5 O 0.53757(9) -0.00691(8) -0.33442(8) 0.01284(17) Uani 1 1 d . . . O3 O 0.28853(9) 0.67341(8) 0.03394(8) 0.01298(17) Uani 1 1 d . . . O1 O -0.04462(9) 0.99722(8) 0.33852(8) 0.01271(17) Uani 1 1 d . . . O8 O 0.21109(9) 0.16189(8) -0.12882(8) 0.01372(17) Uani 1 1 d . . . O6 O 0.48164(10) -0.17545(8) -0.23778(8) 0.01579(17) Uani 1 1 d . . . O4 O 0.28735(9) 0.83574(8) 0.13287(8) 0.01416(17) Uani 1 1 d . . . O2 O -0.00867(10) 1.17729(8) 0.25178(9) 0.01788(18) Uani 1 1 d . . . O7W O 0.08187(10) 0.56603(8) -0.18667(8) 0.01634(17) Uani 1 1 d . . . O8W O 0.05441(10) 0.61340(8) 0.08105(9) 0.01544(17) Uani 1 1 d . . . O5W O 0.51205(10) 0.18017(8) -0.52926(8) 0.01865(18) Uani 1 1 d . . . O6W O 0.25497(9) 0.09793(8) -0.36859(8) 0.01492(17) Uani 1 1 d . . . O4W O 0.45267(9) 0.39370(8) -0.09792(9) 0.01471(17) Uani 1 1 d . . . O3W O 0.39260(9) 0.43550(8) 0.18328(8) 0.01506(17) Uani 1 1 d . . . O2W O 0.22956(9) 0.94575(9) 0.36328(9) 0.01994(19) Uani 1 1 d . . . O1W O 0.06485(9) 0.79048(8) 0.50568(8) 0.01636(17) Uani 1 1 d . . . O9W O 0.37141(9) 0.42768(8) 0.61390(8) 0.02045(18) Uani 1 1 d . . . O10W O 0.36794(10) 0.57100(9) 0.39832(9) 0.02232(19) Uani 1 1 d . . . O11W O 0.10144(9) 0.45224(8) 0.30109(8) 0.02022(18) Uani 1 1 d . . . O12W O -0.10166(10) 0.68369(8) 0.47964(9) 0.02192(18) Uani 1 1 d . . . H42W H 0.369(2) 0.3784(19) -0.0689(18) 0.025(4) Uiso 1 1 d . . . H41W H 0.531(3) 0.315(3) -0.115(2) 0.047(6) Uiso 1 1 d . . . H32W H 0.297(2) 0.4541(19) 0.2138(18) 0.038(5) Uiso 1 1 d . . . H31W H 0.454(3) 0.342(3) 0.185(3) 0.057(7) Uiso 1 1 d . . . H12W H 0.008(2) 0.7637(19) 0.4965(18) 0.026(4) Uiso 1 1 d . . . H11W H 0.032(3) 0.793(2) 0.595(2) 0.052(6) Uiso 1 1 d . . . H21W H 0.297(2) 0.9631(19) 0.3617(18) 0.030(5) Uiso 1 1 d . . . H22W H 0.256(3) 0.911(2) 0.287(2) 0.045(6) Uiso 1 1 d . . . H62W H 0.201(2) 0.054(2) -0.360(2) 0.035(5) Uiso 1 1 d . . . H61W H 0.243(2) 0.116(2) -0.291(2) 0.035(5) Uiso 1 1 d . . . H51W H 0.464(2) 0.250(2) -0.4781(18) 0.024(4) Uiso 1 1 d . . . H52W H 0.510(2) 0.2003(19) -0.603(2) 0.031(4) Uiso 1 1 d . . . H82W H 0.137(2) 0.624(2) 0.0549(19) 0.028(4) Uiso 1 1 d . . . H81W H -0.020(3) 0.689(2) 0.099(2) 0.042(6) Uiso 1 1 d . . . H72W H 0.183(2) 0.519(2) -0.2423(19) 0.040(5) Uiso 1 1 d . . . H71W H 0.055(3) 0.657(3) -0.191(3) 0.055(7) Uiso 1 1 d . . . H2 H 0.3241(19) 0.2166(17) 0.1207(16) 0.016(4) Uiso 1 1 d . . . H1 H 0.1883(19) 0.7887(17) -0.1276(16) 0.016(4) Uiso 1 1 d . . . H9A H 0.365(2) 0.474(2) 0.549(2) 0.044(5) Uiso 1 1 d . . . H9B H 0.457(2) 0.417(2) 0.6195(19) 0.043(5) Uiso 1 1 d . . . H10A H 0.392(3) 0.532(2) 0.326(2) 0.054(6) Uiso 1 1 d . . . H10B H 0.281(3) 0.647(2) 0.419(2) 0.058(6) Uiso 1 1 d . . . H12A H -0.031(3) 0.615(2) 0.411(2) 0.049(6) Uiso 1 1 d . . . H12B H -0.164(2) 0.743(2) 0.4532(18) 0.042(5) Uiso 1 1 d . . . H11A H 0.051(3) 0.450(2) 0.260(2) 0.061(6) Uiso 1 1 d . . . H11B H 0.112(2) 0.389(2) 0.358(2) 0.055(6) Uiso 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 C5 0.0078(4) 0.0092(4) 0.0116(5) 0.0006(4) -0.0049(4) -0.0002(4) C2 0.0092(4) 0.0080(4) 0.0125(5) 0.0011(4) -0.0063(4) -0.0006(4) C1 0.0109(4) 0.0091(4) 0.0125(5) 0.0014(4) -0.0071(4) -0.0021(4) C4 0.0092(4) 0.0090(4) 0.0137(5) 0.0000(4) -0.0074(4) 0.0009(3) C3 0.0100(4) 0.0082(4) 0.0133(5) -0.0002(4) -0.0068(4) 0.0001(4) C10 0.0078(4) 0.0086(4) 0.0113(5) 0.0006(4) -0.0048(4) 0.0003(4) C7 0.0089(4) 0.0078(4) 0.0124(5) 0.0009(4) -0.0064(4) -0.0002(4) C8 0.0101(4) 0.0082(4) 0.0132(5) 0.0002(4) -0.0068(4) 0.0001(4) C6 0.0103(4) 0.0093(4) 0.0125(5) 0.0013(4) -0.0070(4) -0.0021(4) C9 0.0077(4) 0.0084(4) 0.0129(5) -0.0007(4) -0.0063(3) 0.0016(3) Co2 0.00808(13) 0.00654(13) 0.01308(15) 0.00065(10) -0.00698(10) 0.00040(10) Co3 0.01096(14) 0.00870(14) 0.01105(15) 0.00085(10) -0.00748(10) -0.00159(10) Co1 0.01023(14) 0.00900(14) 0.01064(15) 0.00069(10) -0.00670(10) -0.00159(10) Co4 0.00812(13) 0.00652(13) 0.01358(15) 0.00081(10) -0.00701(10) 0.00032(10) O7 0.0101(3) 0.0076(3) 0.0194(4) 0.0001(3) -0.0096(3) 0.0007(3) O5 0.0134(3) 0.0132(3) 0.0126(4) 0.0028(3) -0.0089(3) -0.0041(3) O3 0.0105(3) 0.0074(3) 0.0191(4) 0.0000(3) -0.0098(3) 0.0007(3) O1 0.0128(3) 0.0124(3) 0.0130(4) 0.0025(3) -0.0089(3) -0.0033(3) O8 0.0113(3) 0.0113(4) 0.0166(4) -0.0015(3) -0.0094(3) -0.0001(3) O6 0.0227(4) 0.0104(3) 0.0168(4) 0.0020(3) -0.0132(3) -0.0056(3) O4 0.0116(3) 0.0116(4) 0.0170(4) -0.0023(3) -0.0096(3) 0.0002(3) O2 0.0294(4) 0.0111(3) 0.0177(4) 0.0027(3) -0.0160(3) -0.0079(3) O7W 0.0154(4) 0.0105(3) 0.0166(4) 0.0020(3) -0.0063(3) -0.0021(3) O8W 0.0108(3) 0.0095(4) 0.0245(4) -0.0011(3) -0.0105(3) -0.0005(3) O5W 0.0294(4) 0.0131(4) 0.0162(4) 0.0027(3) -0.0142(3) -0.0085(3) O6W 0.0127(3) 0.0159(4) 0.0147(4) -0.0008(3) -0.0079(3) -0.0034(3) O4W 0.0114(3) 0.0103(3) 0.0209(4) -0.0011(3) -0.0096(3) -0.0010(3) O3W 0.0128(3) 0.0113(3) 0.0177(4) 0.0030(3) -0.0082(3) -0.0022(3) O2W 0.0134(4) 0.0311(5) 0.0148(4) -0.0047(3) -0.0049(3) -0.0097(3) O1W 0.0204(4) 0.0119(3) 0.0164(4) 0.0007(3) -0.0113(3) -0.0040(3) O9W 0.0181(4) 0.0172(4) 0.0200(4) -0.0009(3) -0.0076(3) -0.0039(3) O10W 0.0194(4) 0.0199(4) 0.0197(4) -0.0023(3) -0.0106(3) -0.0005(3) O11W 0.0183(4) 0.0214(4) 0.0211(4) 0.0039(3) -0.0121(3) -0.0066(3) O12W 0.0245(4) 0.0152(4) 0.0264(4) 0.0036(3) -0.0176(3) -0.0039(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 C5 O4 1.2429(15) . ? C5 O3 1.2778(14) . ? C5 C2 1.5135(15) . ? C2 C3 1.3917(17) . ? C2 C1 1.4029(17) . ? C1 C3 1.3951(15) 2_575 ? C1 C4 1.4964(16) . ? C4 O2 1.2588(14) . ? C4 O1 1.2752(14) . ? C3 C1 1.3951(15) 2_575 ? C10 O8 1.2490(15) . ? C10 O7 1.2732(14) . ? C10 C7 1.5117(15) . ? C7 C8 1.3935(17) . ? C7 C6 1.4021(17) . ? C8 C6 1.3951(15) 2_655 ? C6 C8 1.3951(15) 2_655 ? C6 C9 1.5034(16) . ? C9 O6 1.2567(14) . ? C9 O5 1.2781(14) . ? Co2 O4W 2.0832(10) . ? Co2 O4W 2.0832(10) 2_665 ? Co2 O3 2.0892(13) 2_665 ? Co2 O3 2.0892(13) . ? Co2 O3W 2.1175(11) . ? Co2 O3W 2.1175(11) 2_665 ? Co3 O5W 2.0430(9) 2_654 ? Co3 O5W 2.0430(9) . ? Co3 O5 2.1035(9) . ? Co3 O5 2.1035(9) 2_654 ? Co3 O6W 2.1412(14) 2_654 ? Co3 O6W 2.1412(14) . ? Co1 O2W 2.0761(13) 2_576 ? Co1 O2W 2.0761(13) . ? Co1 O1W 2.0948(9) . ? Co1 O1W 2.0948(9) 2_576 ? Co1 O1 2.1251(9) 2_576 ? Co1 O1 2.1251(9) . ? Co4 O8W 2.0696(10) . ? Co4 O8W 2.0696(10) 2_565 ? Co4 O7W 2.1014(11) 2_565 ? Co4 O7W 2.1014(11) . ? Co4 O7 2.1075(13) 2_565 ? Co4 O7 2.1075(13) . ? 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 C5 O3 125.26(10) . . ? O4 C5 C2 119.73(10) . . ? O3 C5 C2 114.95(10) . . ? C3 C2 C1 119.00(10) . . ? C3 C2 C5 118.16(10) . . ? C1 C2 C5 122.72(11) . . ? C3 C1 C2 119.05(11) 2_575 . ? C3 C1 C4 117.18(10) 2_575 . ? C2 C1 C4 123.77(10) . . ? O2 C4 O1 124.54(11) . . ? O2 C4 C1 116.99(10) . . ? O1 C4 C1 118.40(10) . . ? C2 C3 C1 121.95(11) . 2_575 ? O8 C10 O7 125.29(10) . . ? O8 C10 C7 118.65(10) . . ? O7 C10 C7 115.97(10) . . ? C8 C7 C6 119.43(10) . . ? C8 C7 C10 118.50(10) . . ? C6 C7 C10 121.91(11) . . ? C7 C8 C6 121.87(11) . 2_655 ? C8 C6 C7 118.69(11) 2_655 . ? C8 C6 C9 118.00(10) 2_655 . ? C7 C6 C9 123.29(10) . . ? O6 C9 O5 124.74(11) . . ? O6 C9 C6 117.93(10) . . ? O5 C9 C6 117.28(10) . . ? O4W Co2 O4W 180.00(5) . 2_665 ? O4W Co2 O3 90.33(4) . 2_665 ? O4W Co2 O3 89.67(4) 2_665 2_665 ? O4W Co2 O3 89.67(4) . . ? O4W Co2 O3 90.33(4) 2_665 . ? O3 Co2 O3 180.00(5) 2_665 . ? O4W Co2 O3W 92.73(4) . . ? O4W Co2 O3W 87.27(4) 2_665 . ? O3 Co2 O3W 88.70(5) 2_665 . ? O3 Co2 O3W 91.30(5) . . ? O4W Co2 O3W 87.27(4) . 2_665 ? O4W Co2 O3W 92.73(4) 2_665 2_665 ? O3 Co2 O3W 91.30(5) 2_665 2_665 ? O3 Co2 O3W 88.70(5) . 2_665 ? O3W Co2 O3W 180.00(4) . 2_665 ? O5W Co3 O5W 180.0 2_654 . ? O5W Co3 O5 92.13(4) 2_654 . ? O5W Co3 O5 87.87(4) . . ? O5W Co3 O5 87.87(4) 2_654 2_654 ? O5W Co3 O5 92.13(4) . 2_654 ? O5 Co3 O5 180.000(1) . 2_654 ? O5W Co3 O6W 93.63(5) 2_654 2_654 ? O5W Co3 O6W 86.37(5) . 2_654 ? O5 Co3 O6W 92.95(4) . 2_654 ? O5 Co3 O6W 87.05(4) 2_654 2_654 ? O5W Co3 O6W 86.37(5) 2_654 . ? O5W Co3 O6W 93.63(5) . . ? O5 Co3 O6W 87.05(4) . . ? O5 Co3 O6W 92.95(4) 2_654 . ? O6W Co3 O6W 180.0 2_654 . ? O2W Co1 O2W 180.000(1) 2_576 . ? O2W Co1 O1W 92.12(6) 2_576 . ? O2W Co1 O1W 87.88(6) . . ? O2W Co1 O1W 87.88(6) 2_576 2_576 ? O2W Co1 O1W 92.12(6) . 2_576 ? O1W Co1 O1W 180.000(1) . 2_576 ? O2W Co1 O1 87.17(4) 2_576 2_576 ? O2W Co1 O1 92.83(4) . 2_576 ? O1W Co1 O1 90.67(4) . 2_576 ? O1W Co1 O1 89.33(4) 2_576 2_576 ? O2W Co1 O1 92.83(4) 2_576 . ? O2W Co1 O1 87.17(4) . . ? O1W Co1 O1 89.33(4) . . ? O1W Co1 O1 90.67(4) 2_576 . ? O1 Co1 O1 180.000(1) 2_576 . ? O8W Co4 O8W 180.00(4) . 2_565 ? O8W Co4 O7W 86.46(4) . 2_565 ? O8W Co4 O7W 93.54(4) 2_565 2_565 ? O8W Co4 O7W 93.54(4) . . ? O8W Co4 O7W 86.46(4) 2_565 . ? O7W Co4 O7W 180.00(5) 2_565 . ? O8W Co4 O7 89.55(4) . 2_565 ? O8W Co4 O7 90.45(4) 2_565 2_565 ? O7W Co4 O7 93.77(5) 2_565 2_565 ? O7W Co4 O7 86.23(5) . 2_565 ? O8W Co4 O7 90.45(4) . . ? O8W Co4 O7 89.55(4) 2_565 . ? O7W Co4 O7 86.23(5) 2_565 . ? O7W Co4 O7 93.77(5) . . ? O7 Co4 O7 180.0 2_565 . ? C10 O7 Co4 129.74(7) . . ? C9 O5 Co3 127.09(8) . . ? C5 O3 Co2 130.40(7) . . ? C4 O1 Co1 122.80(8) . . ? _diffrn_measured_fraction_theta_max 0.971 _diffrn_reflns_theta_full 29.10 _diffrn_measured_fraction_theta_full 0.971 _refine_diff_density_max 0.547 _refine_diff_density_min -1.069 _refine_diff_density_rms 0.082