# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Xiao-Ming Chen' _publ_contact_author_address ; Sun Yat-Sen University Guangzhou 510275 CHINA ; _publ_contact_author_email CXM@MAIL.SYSU.EDU.CN _publ_section_title ; The slow magnetic relaxation observed in a mixed carboxylate/hydroxide-bridged compound [Co2Na(4-cpa)2(mu3-OH)(H2O)] featuring spin frustrated magnetic delta-chains ; loop_ _publ_author_name _publ_author_address 'Xiao-Ning Cheng' ; School of Chemistry and Chemical Engineering Sun Yat-Sen University Guangzhou 510275 P. R. China ; 'Wei-Xiong Zhang' ; School of Chemistry and Chemical Engineering Sun Yat-Sen University Guangzhou 510275 P. R. China ; 'Yan-Zhen Zheng' ; School of Chemistry and Chemical Engineering Sun Yat-Sen University Guangzhou 510275 P. R. China ; 'Xiao-Ming Chen' ; School of Chemistry and Chemical Engineering Sun Yat-Sen University Guangzhou 510275 P. R. China ; #============================================================ data_complex_1 _database_code_depnum_ccdc_archive 'CCDC 601874' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C18 H15 Co2 Na O12' _chemical_formula_weight 564.15 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' O O 0.0106 0.0060 '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' Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 8.5377(6) _cell_length_b 10.0981(7) _cell_length_c 22.0819(15) _cell_angle_alpha 90.00 _cell_angle_beta 99.6730(10) _cell_angle_gamma 90.00 _cell_volume 1876.7(2) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour pink _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.997 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1136 _exptl_absorpt_coefficient_mu 1.863 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7303 _exptl_absorpt_correction_T_max 0.8806 _exptl_absorpt_process_details SADABS _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 CCD _diffrn_measurement_method '/w scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_decay_% ? _diffrn_reflns_number 14736 _diffrn_reflns_av_R_equivalents 0.0247 _diffrn_reflns_av_sigmaI/netI 0.0234 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.22 _diffrn_reflns_theta_max 27.00 _reflns_number_total 4015 _reflns_number_gt 3635 _reflns_threshold_expression >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SAINT _computing_data_reduction SAINT _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^)+(0.0434P)^2^+1.2448P] 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 4015 _refine_ls_number_parameters 309 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0355 _refine_ls_R_factor_gt 0.0317 _refine_ls_wR_factor_ref 0.0810 _refine_ls_wR_factor_gt 0.0785 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.054 _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 Co1 Co 0.24851(3) 0.78023(3) 0.007893(12) 0.01620(9) Uani 1 1 d . . . Co2 Co 0.5000 1.0000 0.0000 0.01650(11) Uani 1 2 d S . . Co3 Co 0.0000 1.0000 0.0000 0.01742(11) Uani 1 2 d S . . O1 O 1.00447(17) 1.30029(14) 0.46516(7) 0.0207(3) Uani 1 1 d . . . O1W O 0.2622(2) 0.56975(16) 0.02043(8) 0.0245(3) Uani 1 1 d . . . O2 O 0.94295(18) 1.10534(16) 0.42027(8) 0.0277(4) Uani 1 1 d . . . O3 O 0.65322(17) 1.18149(15) 0.36859(7) 0.0220(3) Uani 1 1 d . . . O4 O 0.54744(17) 1.06810(15) 0.08682(6) 0.0230(3) Uani 1 1 d . . . O5 O 0.71491(18) 1.23867(15) 0.08530(7) 0.0231(3) Uani 1 1 d . . . O6 O 0.00474(17) 0.78856(15) -0.02394(7) 0.0211(3) Uani 1 1 d . . . O7 O -0.02651(18) 0.59462(17) -0.07292(8) 0.0325(4) Uani 1 1 d . . . O8 O -0.33297(17) 0.64431(16) -0.12097(7) 0.0231(3) Uani 1 1 d . . . O9 O -0.45419(17) 0.53830(16) -0.40687(7) 0.0228(3) Uani 1 1 d . . . O10 O -0.27692(19) 0.70350(16) -0.40176(7) 0.0276(4) Uani 1 1 d . . . O13 O 0.24842(15) 0.98649(16) 0.00053(7) 0.0243(4) Uani 1 1 d . . . H13 H 0.2679 0.9940 0.0454 0.029 Uiso 1 1 calc R . . C1 C 0.9116(2) 1.2212(2) 0.43171(9) 0.0183(4) Uani 1 1 d . . . C2 C 0.7480(2) 1.2757(2) 0.40651(9) 0.0217(4) Uani 1 1 d . . . H2A H 0.6948 1.3001 0.4404 0.026 Uiso 1 1 calc R . . H2B H 0.7590 1.3549 0.3828 0.026 Uiso 1 1 calc R . . C3 C 0.6646(2) 1.1769(2) 0.30735(9) 0.0197(4) Uani 1 1 d . . . C4 C 0.7754(2) 1.2466(2) 0.28024(10) 0.0234(5) Uani 1 1 d . . . H4A H 0.8533 1.2973 0.3042 0.028 Uiso 1 1 calc R . . C5 C 0.7681(2) 1.2396(2) 0.21730(10) 0.0228(5) Uani 1 1 d . . . H5A H 0.8407 1.2872 0.1990 0.027 Uiso 1 1 calc R . . C6 C 0.6543(2) 1.1625(2) 0.18090(9) 0.0191(4) Uani 1 1 d . . . C7 C 0.5498(2) 1.0880(2) 0.20989(10) 0.0228(4) Uani 1 1 d . . . H7A H 0.4764 1.0325 0.1865 0.027 Uiso 1 1 calc R . . C8 C 0.5540(2) 1.0953(2) 0.27210(10) 0.0225(4) Uani 1 1 d . . . H8A H 0.4831 1.0459 0.2906 0.027 Uiso 1 1 calc R . . C9 C 0.6384(2) 1.1571(2) 0.11267(9) 0.0183(4) Uani 1 1 d . . . C10 C -0.0756(2) 0.7038(2) -0.05951(9) 0.0193(4) Uani 1 1 d . . . C11 C -0.2456(2) 0.7443(2) -0.08470(10) 0.0224(5) Uani 1 1 d . . . H11A H -0.2995 0.7659 -0.0506 0.027 Uiso 1 1 calc R . . H11B H -0.2440 0.8235 -0.1094 0.027 Uiso 1 1 calc R . . C12 C -0.3229(2) 0.6367(2) -0.18192(9) 0.0192(4) Uani 1 1 d . . . C13 C -0.2189(2) 0.7108(2) -0.21075(10) 0.0238(5) Uani 1 1 d . . . H13A H -0.1428 0.7648 -0.1878 0.029 Uiso 1 1 calc R . . C14 C -0.2300(2) 0.7031(2) -0.27398(10) 0.0233(5) Uani 1 1 d . . . H14A H -0.1618 0.7536 -0.2933 0.028 Uiso 1 1 calc R . . C15 C -0.3411(2) 0.6216(2) -0.30914(9) 0.0197(4) Uani 1 1 d . . . C16 C -0.4392(2) 0.5439(2) -0.27901(10) 0.0220(4) Uani 1 1 d . . . H16A H -0.5117 0.4864 -0.3016 0.026 Uiso 1 1 calc R . . C17 C -0.4304(2) 0.5511(2) -0.21630(10) 0.0231(4) Uani 1 1 d . . . H17A H -0.4964 0.4985 -0.1969 0.028 Uiso 1 1 calc R . . C18 C -0.3592(2) 0.6215(2) -0.37773(9) 0.0201(4) Uani 1 1 d . . . Na1 Na 0.72522(11) 0.96226(9) 0.41283(4) 0.0295(2) Uani 1 1 d . . . H1W H 0.195(4) 0.535(4) 0.0398(16) 0.070(12) Uiso 1 1 d . . . H2W H 0.343(4) 0.565(3) 0.0442(15) 0.047(9) 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 Co1 0.01572(15) 0.01601(16) 0.01664(15) -0.00030(10) 0.00202(10) 0.00061(10) Co2 0.01630(19) 0.0168(2) 0.0156(2) -0.00066(15) 0.00040(15) -0.00125(14) Co3 0.01500(19) 0.0185(2) 0.0180(2) 0.00128(15) 0.00040(15) 0.00176(14) O1 0.0169(7) 0.0199(7) 0.0241(8) -0.0043(6) 0.0000(6) -0.0006(6) O1W 0.0213(8) 0.0222(8) 0.0285(9) 0.0039(7) 0.0002(7) 0.0001(6) O2 0.0214(8) 0.0217(8) 0.0379(9) -0.0061(7) -0.0012(7) 0.0010(6) O3 0.0207(7) 0.0283(8) 0.0162(7) -0.0020(6) 0.0005(6) -0.0027(6) O4 0.0252(8) 0.0276(8) 0.0165(7) -0.0050(6) 0.0039(6) -0.0050(6) O5 0.0269(8) 0.0239(8) 0.0193(8) -0.0012(6) 0.0062(6) -0.0037(6) O6 0.0177(7) 0.0204(7) 0.0237(8) -0.0025(6) -0.0003(6) 0.0005(6) O7 0.0234(8) 0.0255(9) 0.0464(10) -0.0105(8) -0.0008(7) 0.0043(7) O8 0.0220(7) 0.0313(9) 0.0154(7) -0.0023(6) 0.0011(6) -0.0046(6) O9 0.0238(8) 0.0274(8) 0.0168(7) -0.0040(6) 0.0025(6) -0.0049(6) O10 0.0342(9) 0.0307(9) 0.0187(8) -0.0024(7) 0.0068(6) -0.0081(7) O13 0.0205(8) 0.0189(8) 0.0358(10) 0.0019(6) 0.0116(7) 0.0017(6) C1 0.0178(9) 0.0209(10) 0.0166(10) 0.0007(8) 0.0041(8) -0.0009(8) C2 0.0209(10) 0.0266(11) 0.0159(10) -0.0043(8) -0.0015(8) 0.0020(8) C3 0.0196(10) 0.0218(11) 0.0170(10) 0.0007(8) 0.0009(8) 0.0036(8) C4 0.0197(10) 0.0266(11) 0.0226(11) -0.0042(9) 0.0001(8) -0.0063(9) C5 0.0201(10) 0.0269(11) 0.0221(11) 0.0005(9) 0.0052(8) -0.0047(9) C6 0.0195(10) 0.0200(10) 0.0175(10) -0.0028(8) 0.0021(8) 0.0013(8) C7 0.0217(10) 0.0238(11) 0.0218(11) -0.0035(9) 0.0004(8) -0.0055(9) C8 0.0220(10) 0.0244(11) 0.0213(11) 0.0000(9) 0.0040(8) -0.0048(9) C9 0.0159(9) 0.0187(10) 0.0200(10) -0.0016(8) 0.0021(8) 0.0037(8) C10 0.0174(10) 0.0225(11) 0.0178(10) -0.0003(8) 0.0021(8) 0.0000(8) C11 0.0198(10) 0.0294(12) 0.0173(10) -0.0050(9) 0.0012(8) 0.0020(9) C12 0.0173(9) 0.0236(11) 0.0162(10) 0.0009(8) 0.0012(7) 0.0029(8) C13 0.0187(10) 0.0291(12) 0.0230(11) -0.0042(9) 0.0016(8) -0.0060(9) C14 0.0208(10) 0.0285(12) 0.0212(11) -0.0006(9) 0.0048(8) -0.0037(9) C15 0.0203(10) 0.0201(10) 0.0193(10) -0.0022(8) 0.0049(8) 0.0012(8) C16 0.0226(10) 0.0217(11) 0.0205(11) -0.0041(8) 0.0006(8) -0.0058(9) C17 0.0221(10) 0.0253(11) 0.0222(11) 0.0011(9) 0.0047(8) -0.0058(9) C18 0.0183(10) 0.0219(11) 0.0200(10) -0.0009(8) 0.0031(8) 0.0046(8) Na1 0.0301(5) 0.0233(5) 0.0344(5) 0.0048(4) 0.0029(4) -0.0048(4) _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 Co1 O10 2.0494(15) 4_676 ? Co1 O6 2.0835(15) . ? Co1 O13 2.0891(16) . ? Co1 O1 2.1027(14) 2_645 ? Co1 O5 2.1413(15) 3_675 ? Co1 O1W 2.1441(16) . ? Co1 Na1 3.2098(9) 4_575 ? Co2 O4 2.0127(14) . ? Co2 O4 2.0127(14) 3_675 ? Co2 O13 2.1542(13) . ? Co2 O13 2.1542(13) 3_675 ? Co2 O1 2.1611(14) 2_645 ? Co2 O1 2.1611(14) 4_585 ? Co3 O9 2.0642(15) 4_676 ? Co3 O9 2.0642(15) 2_454 ? Co3 O13 2.1234(13) 3_575 ? Co3 O13 2.1234(13) . ? Co3 O6 2.2016(15) 3_575 ? Co3 O6 2.2016(15) . ? O1 C1 1.271(2) . ? O1 Co1 2.1027(14) 2_655 ? O1 Co2 2.1611(14) 2_655 ? O1W Na1 2.366(2) 4_575 ? O2 C1 1.236(3) . ? O2 Na1 2.3382(18) . ? O3 C3 1.373(3) . ? O3 C2 1.426(2) . ? O3 Na1 2.4558(18) . ? O4 C9 1.260(2) . ? O5 C9 1.266(3) . ? O5 Co1 2.1413(15) 3_675 ? O5 Na1 2.3139(18) 2_655 ? O6 C10 1.280(3) . ? O7 C10 1.233(3) . ? O7 Na1 2.2968(18) 4_575 ? O8 C12 1.365(2) . ? O8 C11 1.420(3) . ? O9 C18 1.266(3) . ? O9 Co3 2.0642(15) 2_444 ? O10 C18 1.259(3) . ? O10 Co1 2.0494(15) 4_575 ? C1 C2 1.517(3) . ? C1 Na1 3.053(2) . ? C3 C8 1.389(3) . ? C3 C4 1.392(3) . ? C4 C5 1.383(3) . ? C5 C6 1.390(3) . ? C6 C7 1.401(3) . ? C6 C9 1.491(3) . ? C7 C8 1.370(3) . ? C10 C11 1.521(3) . ? C12 C17 1.390(3) . ? C12 C13 1.395(3) . ? C13 C14 1.386(3) . ? C14 C15 1.390(3) . ? C15 C16 1.396(3) . ? C15 C18 1.497(3) . ? C16 C17 1.376(3) . ? Na1 O7 2.2968(18) 4_676 ? Na1 O5 2.3139(18) 2_645 ? Na1 O1W 2.366(2) 4_676 ? Na1 Co1 3.2098(9) 4_676 ? 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 O10 Co1 O6 93.55(6) 4_676 . ? O10 Co1 O13 89.84(6) 4_676 . ? O6 Co1 O13 86.92(5) . . ? O10 Co1 O1 88.98(6) 4_676 2_645 ? O6 Co1 O1 171.55(6) . 2_645 ? O13 Co1 O1 85.02(5) . 2_645 ? O10 Co1 O5 177.66(6) 4_676 3_675 ? O6 Co1 O5 88.75(6) . 3_675 ? O13 Co1 O5 90.70(6) . 3_675 ? O1 Co1 O5 88.81(6) 2_645 3_675 ? O10 Co1 O1W 88.06(7) 4_676 . ? O6 Co1 O1W 96.50(6) . . ? O13 Co1 O1W 176.09(6) . . ? O1 Co1 O1W 91.65(6) 2_645 . ? O5 Co1 O1W 91.27(6) 3_675 . ? O10 Co1 Na1 133.85(5) 4_676 4_575 ? O6 Co1 Na1 82.04(4) . 4_575 ? O13 Co1 Na1 135.27(5) . 4_575 ? O1 Co1 Na1 101.97(4) 2_645 4_575 ? O5 Co1 Na1 46.09(4) 3_675 4_575 ? O1W Co1 Na1 47.48(5) . 4_575 ? O4 Co2 O4 180.0 . 3_675 ? O4 Co2 O13 93.31(6) . . ? O4 Co2 O13 86.69(6) 3_675 . ? O4 Co2 O13 86.69(6) . 3_675 ? O4 Co2 O13 93.31(6) 3_675 3_675 ? O13 Co2 O13 180.00(8) . 3_675 ? O4 Co2 O1 89.57(6) . 2_645 ? O4 Co2 O1 90.43(6) 3_675 2_645 ? O13 Co2 O1 82.05(6) . 2_645 ? O13 Co2 O1 97.95(6) 3_675 2_645 ? O4 Co2 O1 90.43(6) . 4_585 ? O4 Co2 O1 89.57(6) 3_675 4_585 ? O13 Co2 O1 97.95(6) . 4_585 ? O13 Co2 O1 82.05(6) 3_675 4_585 ? O1 Co2 O1 180.0 2_645 4_585 ? O9 Co3 O9 180.00(9) 4_676 2_454 ? O9 Co3 O13 92.26(6) 4_676 3_575 ? O9 Co3 O13 87.74(6) 2_454 3_575 ? O9 Co3 O13 87.74(6) 4_676 . ? O9 Co3 O13 92.26(6) 2_454 . ? O13 Co3 O13 180.0 3_575 . ? O9 Co3 O6 87.17(6) 4_676 3_575 ? O9 Co3 O6 92.83(6) 2_454 3_575 ? O13 Co3 O6 83.13(6) 3_575 3_575 ? O13 Co3 O6 96.87(6) . 3_575 ? O9 Co3 O6 92.83(6) 4_676 . ? O9 Co3 O6 87.17(6) 2_454 . ? O13 Co3 O6 96.87(6) 3_575 . ? O13 Co3 O6 83.13(6) . . ? O6 Co3 O6 180.0 3_575 . ? C1 O1 Co1 127.03(13) . 2_655 ? C1 O1 Co2 138.29(13) . 2_655 ? Co1 O1 Co2 93.78(6) 2_655 2_655 ? Co1 O1W Na1 90.61(7) . 4_575 ? C1 O2 Na1 113.73(13) . . ? C3 O3 C2 118.30(16) . . ? C3 O3 Na1 107.88(12) . . ? C2 O3 Na1 106.76(12) . . ? C9 O4 Co2 133.26(14) . . ? C9 O5 Co1 124.82(13) . 3_675 ? C9 O5 Na1 139.15(14) . 2_655 ? Co1 O5 Na1 92.10(6) 3_675 2_655 ? C10 O6 Co1 125.57(13) . . ? C10 O6 Co3 140.01(13) . . ? Co1 O6 Co3 90.90(6) . . ? C10 O7 Na1 128.32(15) . 4_575 ? C12 O8 C11 118.83(16) . . ? C18 O9 Co3 128.95(14) . 2_444 ? C18 O10 Co1 128.36(14) . 4_575 ? Co1 O13 Co3 92.97(6) . . ? Co1 O13 Co2 94.37(6) . . ? Co3 O13 Co2 172.66(9) . . ? O2 C1 O1 125.32(19) . . ? O2 C1 C2 119.06(19) . . ? O1 C1 C2 115.58(18) . . ? O2 C1 Na1 44.51(10) . . ? O1 C1 Na1 151.33(14) . . ? C2 C1 Na1 80.42(12) . . ? O3 C2 C1 111.73(17) . . ? O3 C3 C8 114.70(18) . . ? O3 C3 C4 124.90(19) . . ? C8 C3 C4 120.4(2) . . ? C5 C4 C3 119.1(2) . . ? C4 C5 C6 121.3(2) . . ? C5 C6 C7 118.24(19) . . ? C5 C6 C9 122.74(19) . . ? C7 C6 C9 119.02(18) . . ? C8 C7 C6 121.20(19) . . ? C7 C8 C3 119.6(2) . . ? O4 C9 O5 125.16(19) . . ? O4 C9 C6 115.38(18) . . ? O5 C9 C6 119.47(18) . . ? O7 C10 O6 125.21(19) . . ? O7 C10 C11 119.65(19) . . ? O6 C10 C11 115.13(18) . . ? O8 C11 C10 113.19(17) . . ? O8 C12 C17 115.38(18) . . ? O8 C12 C13 124.76(19) . . ? C17 C12 C13 119.82(19) . . ? C14 C13 C12 119.2(2) . . ? C13 C14 C15 121.4(2) . . ? C14 C15 C16 118.35(19) . . ? C14 C15 C18 120.68(19) . . ? C16 C15 C18 120.93(19) . . ? C17 C16 C15 120.9(2) . . ? C16 C17 C12 120.1(2) . . ? O10 C18 O9 125.27(19) . . ? O10 C18 C15 117.13(19) . . ? O9 C18 C15 117.59(18) . . ? O7 Na1 O5 87.85(6) 4_676 2_645 ? O7 Na1 O2 153.65(7) 4_676 . ? O5 Na1 O2 115.54(7) 2_645 . ? O7 Na1 O1W 78.35(7) 4_676 4_676 ? O5 Na1 O1W 81.78(6) 2_645 4_676 ? O2 Na1 O1W 92.50(6) . 4_676 ? O7 Na1 O3 95.88(6) 4_676 . ? O5 Na1 O3 157.90(7) 2_645 . ? O2 Na1 O3 67.29(6) . . ? O1W Na1 O3 120.32(7) 4_676 . ? O7 Na1 C1 132.35(7) 4_676 . ? O5 Na1 C1 136.46(7) 2_645 . ? O2 Na1 C1 21.76(5) . . ? O1W Na1 C1 90.08(6) 4_676 . ? O3 Na1 C1 51.10(5) . . ? O7 Na1 Co1 71.10(5) 4_676 4_676 ? O5 Na1 Co1 41.81(4) 2_645 4_676 ? O2 Na1 Co1 117.67(5) . 4_676 ? O1W Na1 Co1 41.91(4) 4_676 4_676 ? O3 Na1 Co1 158.70(5) . 4_676 ? C1 Na1 Co1 126.20(5) . 4_676 ? _diffrn_measured_fraction_theta_max 0.981 _diffrn_reflns_theta_full 27.00 _diffrn_measured_fraction_theta_full 0.981 _refine_diff_density_max 0.717 _refine_diff_density_min -0.386 _refine_diff_density_rms 0.092