data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Chunhua Yan' _publ_contact_author_address ; College of Chemistry Peking University Beijing 100871 CHINA ; _publ_contact_author_email YAN@PKU.EDU.CN _publ_section_title ; A novel three-dimensional heterometallic compound: templated assembly of the unprecedented planar Na [Cu4] metalloporphyrin-like subunits ; loop_ _publ_author_name 'Chunhua Yan.' 'Chen-Jie Fang.' 'En-Qing Gao.' 'Cheng He.' 'Bing-Wu Wang.' ; Yan-Feng Yue ; data_1 _database_code_depnum_ccdc_archive 'CCDC 618769' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C16 H14 Cu4 N12 Na4 O23' _chemical_formula_weight 1088.52 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' 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 C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 8.75580(10) _cell_length_b 16.6604(3) _cell_length_c 21.5919(4) _cell_angle_alpha 90.00 _cell_angle_beta 99.6544(7) _cell_angle_gamma 90.00 _cell_volume 3105.11(9) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 30019 _cell_measurement_theta_min 3.395 _cell_measurement_theta_max 27.485 _exptl_crystal_description Rhombic _exptl_crystal_colour Deep-Bule _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.328 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2152 _exptl_absorpt_coefficient_mu 2.880 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.553 _exptl_absorpt_correction_T_max 0.753 _exptl_absorpt_process_details '(Blessing, 1995, 1997)' _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 'NONIUS KappaCCD Diffractometer' _diffrn_measurement_method CCD _diffrn_detector_area_resol_mean 0.76 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 29968 _diffrn_reflns_av_R_equivalents 0.0958 _diffrn_reflns_av_sigmaI/netI 0.0580 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 3.50 _diffrn_reflns_theta_max 27.49 _reflns_number_total 3570 _reflns_number_gt 2040 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'KappaCCD (Nonius B. V., 1998)' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor, 1997)' _computing_data_reduction 'HKL Denzo (Otwinowski & Minor, 1997) & maXus (Mackay et al., 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL V5.1 (Sheldrick, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0519P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens ? _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3570 _refine_ls_number_parameters 270 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0734 _refine_ls_R_factor_gt 0.0347 _refine_ls_wR_factor_ref 0.1054 _refine_ls_wR_factor_gt 0.0970 _refine_ls_goodness_of_fit_ref 0.996 _refine_ls_restrained_S_all 0.996 _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 0.43908(5) 0.07243(2) -0.10679(2) 0.01390(14) Uani 1 1 d . . . Cu2 Cu 0.42938(5) 0.43157(2) -0.10721(2) 0.01387(14) Uani 1 1 d . . . Na1 Na 0.2500 0.2500 0.0000 0.0197(5) Uani 1 2 d S . . Na2 Na 0.2500 0.7500 0.0000 0.0233(5) Uani 1 2 d S . . Na3 Na -0.00316(18) 0.66129(9) 0.15926(8) 0.0261(4) Uani 1 1 d . . . C1 C 0.6280(4) 0.1449(2) -0.18329(17) 0.0150(8) Uani 1 1 d . . . C2 C 0.5637(4) 0.2124(2) -0.14953(17) 0.0142(8) Uani 1 1 d . . . C3 C 0.5605(4) 0.2950(2) -0.14966(17) 0.0137(8) Uani 1 1 d . . . C4 C 0.6274(4) 0.3628(2) -0.18084(17) 0.0139(8) Uani 1 1 d . . . C5 C 0.3659(4) 0.5800(2) -0.05987(18) 0.0144(8) Uani 1 1 d . . . C6 C 0.2903(4) 0.5207(2) -0.02317(17) 0.0131(8) Uani 1 1 d . . . C7 C 0.2001(4) 0.5204(2) 0.02386(17) 0.0135(8) Uani 1 1 d . . . C8 C 0.1323(4) 0.5791(2) 0.06360(18) 0.0145(8) Uani 1 1 d . . . N1 N 0.4792(3) 0.18868(17) -0.10606(14) 0.0153(7) Uani 1 1 d . . . N2 N 0.4252(3) 0.25213(15) -0.07923(14) 0.0138(6) Uani 1 1 d . . . N3 N 0.4734(3) 0.31612(17) -0.10655(14) 0.0148(7) Uani 1 1 d . . . N4 N 0.3099(3) 0.44305(17) -0.03762(14) 0.0134(7) Uani 1 1 d . . . N5 N 0.2392(3) 0.39546(17) -0.00245(14) 0.0139(6) Uani 1 1 d . . . N6 N 0.1725(3) 0.44177(17) 0.03511(14) 0.0134(7) Uani 1 1 d . . . O1 O 0.5834(3) 0.07530(13) -0.16803(12) 0.0156(6) Uani 1 1 d . . . OW1 O 0.2156(3) 0.08458(15) -0.17553(12) 0.0209(6) Uani 1 1 d . . . O2 O 0.7165(3) 0.15849(15) -0.22097(12) 0.0226(6) Uani 1 1 d . . . OW2 O 0.2082(3) 0.42672(13) -0.18185(12) 0.0179(6) Uani 1 1 d . . . O3 O 0.7276(3) 0.35157(15) -0.21426(12) 0.0199(6) Uani 1 1 d . . . OW3 O 0.0842(3) 0.22128(16) -0.10380(13) 0.0253(7) Uani 1 1 d . . . O4 O 0.5747(3) 0.43194(13) -0.16762(12) 0.0168(6) Uani 1 1 d . . . OW4 O 0.0000 0.7442(2) 0.2500 0.0351(10) Uani 1 2 d S . . O5 O 0.4404(3) 0.54881(14) -0.09971(11) 0.0161(6) Uani 1 1 d . . . O6 O 0.3531(3) 0.65310(13) -0.05125(12) 0.0186(6) Uani 1 1 d . . . O7 O 0.1453(3) 0.65200(13) 0.05747(11) 0.0171(6) Uani 1 1 d . . . O8 O 0.0570(3) 0.54566(14) 0.10305(11) 0.0155(6) 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 0.0176(3) 0.0088(2) 0.0173(3) 0.00044(19) 0.0089(2) 0.00017(18) Cu2 0.0171(3) 0.0090(2) 0.0175(3) -0.00057(19) 0.0089(2) -0.00013(18) Na1 0.0265(11) 0.0108(10) 0.0251(11) -0.0004(10) 0.0141(9) -0.0003(9) Na2 0.0325(12) 0.0123(10) 0.0288(12) 0.0001(10) 0.0159(10) 0.0012(10) Na3 0.0278(9) 0.0201(8) 0.0317(9) -0.0008(7) 0.0092(7) 0.0017(7) C1 0.016(2) 0.0163(19) 0.013(2) -0.0016(17) 0.0047(16) -0.0012(16) C2 0.0158(19) 0.0121(17) 0.016(2) 0.0013(17) 0.0059(16) 0.0014(16) C3 0.017(2) 0.0105(18) 0.014(2) -0.0004(16) 0.0055(16) 0.0001(16) C4 0.018(2) 0.0085(18) 0.015(2) -0.0007(15) 0.0030(16) -0.0016(15) C5 0.0133(18) 0.0146(19) 0.015(2) 0.0004(16) 0.0024(16) -0.0009(15) C6 0.0137(18) 0.0092(17) 0.016(2) -0.0009(15) 0.0021(16) 0.0003(15) C7 0.0159(18) 0.0113(18) 0.013(2) -0.0012(15) 0.0030(16) -0.0017(15) C8 0.0101(18) 0.017(2) 0.017(2) -0.0019(16) 0.0037(15) 0.0026(15) N1 0.0180(16) 0.0131(16) 0.0171(19) -0.0004(13) 0.0094(14) -0.0009(13) N2 0.0175(15) 0.0056(13) 0.0196(16) -0.0004(15) 0.0067(12) -0.0005(14) N3 0.0167(16) 0.0113(16) 0.0181(19) -0.0017(13) 0.0081(14) -0.0010(13) N4 0.0144(16) 0.0102(15) 0.0169(19) -0.0012(13) 0.0064(13) 0.0013(12) N5 0.0181(16) 0.0094(14) 0.0161(16) -0.0002(14) 0.0081(13) 0.0008(13) N6 0.0151(16) 0.0112(15) 0.0151(18) 0.0002(13) 0.0055(13) 0.0010(12) O1 0.0211(14) 0.0087(13) 0.0197(16) -0.0007(10) 0.0118(12) 0.0001(10) OW1 0.0206(14) 0.0237(14) 0.0185(16) 0.0020(12) 0.0040(12) -0.0003(12) O2 0.0307(16) 0.0154(14) 0.0258(16) -0.0036(12) 0.0167(13) -0.0018(12) OW2 0.0186(14) 0.0176(14) 0.0182(15) -0.0032(11) 0.0054(11) 0.0006(11) O3 0.0234(14) 0.0184(14) 0.0216(16) 0.0018(12) 0.0140(12) 0.0031(11) OW3 0.0258(16) 0.0247(14) 0.0263(16) 0.0070(13) 0.0070(13) -0.0008(12) O4 0.0207(14) 0.0116(13) 0.0205(16) 0.0008(11) 0.0108(12) 0.0010(11) OW4 0.056(3) 0.027(2) 0.022(2) 0.000 0.007(2) 0.000 O5 0.0204(15) 0.0100(12) 0.0206(17) -0.0025(11) 0.0115(12) -0.0006(10) O6 0.0243(15) 0.0085(13) 0.0261(16) -0.0005(12) 0.0133(12) 0.0005(11) O7 0.0245(14) 0.0077(13) 0.0208(15) 0.0006(11) 0.0093(12) -0.0021(11) O8 0.0181(14) 0.0123(12) 0.0184(16) -0.0005(11) 0.0096(12) 0.0011(10) _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 N1 1.968(3) . ? Cu1 O8 1.969(2) 7 ? Cu1 O1 1.977(2) . ? Cu1 N6 1.978(3) 7 ? Cu1 OW1 2.258(3) . ? Cu2 O5 1.961(2) . ? Cu2 N3 1.961(3) . ? Cu2 O4 1.969(2) . ? Cu2 N4 1.979(3) . ? Cu2 OW2 2.304(3) . ? Na1 N5 2.426(3) . ? Na1 N5 2.426(3) 7 ? Na1 N2 2.482(3) . ? Na1 N2 2.482(3) 7 ? Na1 OW3 2.504(3) . ? Na1 OW3 2.504(3) 7 ? Na1 Na3 4.0234(16) 5_565 ? Na1 Na3 4.0234(16) 3_545 ? Na2 O6 2.232(2) 7_565 ? Na2 O6 2.232(2) . ? Na2 O7 2.330(2) 7_565 ? Na2 O7 2.330(2) . ? Na3 OW3 2.341(3) 5_565 ? Na3 O8 2.383(3) . ? Na3 OW4 2.394(3) . ? Na3 OW2 2.430(3) 5_565 ? Na3 O3 2.513(3) 5_665 ? Na3 O7 2.739(3) . ? Na3 C8 2.893(4) . ? Na3 Na3 3.909(3) 2 ? Na3 Na1 4.0234(16) 3_455 ? C1 O2 1.235(4) . ? C1 O1 1.284(4) . ? C1 C2 1.500(5) . ? C2 N1 1.349(4) . ? C2 C3 1.376(5) . ? C3 N3 1.345(4) . ? C3 C4 1.485(5) . ? C4 O3 1.241(4) . ? C4 O4 1.290(4) . ? C5 O6 1.240(4) . ? C5 O5 1.274(4) . ? C5 C6 1.489(5) . ? C6 N4 1.348(4) . ? C6 C7 1.387(5) . ? C7 N6 1.360(4) . ? C7 C8 1.489(5) . ? C8 O7 1.230(4) . ? C8 O8 1.287(4) . ? N1 N2 1.330(4) . ? N2 N3 1.321(4) . ? N4 N5 1.321(4) . ? N5 N6 1.324(4) . ? N6 Cu1 1.978(3) 7 ? OW2 Na3 2.430(3) 5_565 ? O3 Na3 2.513(3) 5_665 ? OW3 Na3 2.341(3) 5_565 ? OW4 Na3 2.394(3) 2 ? O8 Cu1 1.969(2) 7 ? 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 N1 Cu1 O8 168.86(11) . 7 ? N1 Cu1 O1 81.28(10) . . ? O8 Cu1 O1 92.46(9) 7 . ? N1 Cu1 N6 102.85(12) . 7 ? O8 Cu1 N6 81.71(10) 7 7 ? O1 Cu1 N6 168.88(11) . 7 ? N1 Cu1 OW1 92.91(11) . . ? O8 Cu1 OW1 97.10(9) 7 . ? O1 Cu1 OW1 97.98(10) . . ? N6 Cu1 OW1 92.15(11) 7 . ? O5 Cu2 N3 165.78(11) . . ? O5 Cu2 O4 91.34(9) . . ? N3 Cu2 O4 81.94(10) . . ? O5 Cu2 N4 82.30(10) . . ? N3 Cu2 N4 102.56(12) . . ? O4 Cu2 N4 170.19(11) . . ? O5 Cu2 OW2 96.70(9) . . ? N3 Cu2 OW2 96.42(11) . . ? O4 Cu2 OW2 95.59(10) . . ? N4 Cu2 OW2 92.59(10) . . ? N5 Na1 N5 180.0 . 7 ? N5 Na1 N2 89.82(9) . . ? N5 Na1 N2 90.18(9) 7 . ? N5 Na1 N2 90.18(9) . 7 ? N5 Na1 N2 89.82(9) 7 7 ? N2 Na1 N2 180.0 . 7 ? N5 Na1 OW3 99.02(9) . . ? N5 Na1 OW3 80.98(9) 7 . ? N2 Na1 OW3 73.65(9) . . ? N2 Na1 OW3 106.35(9) 7 . ? N5 Na1 OW3 80.98(9) . 7 ? N5 Na1 OW3 99.02(9) 7 7 ? N2 Na1 OW3 106.35(9) . 7 ? N2 Na1 OW3 73.65(9) 7 7 ? OW3 Na1 OW3 180.00(8) . 7 ? N5 Na1 Na3 66.48(7) . 5_565 ? N5 Na1 Na3 113.52(8) 7 5_565 ? N2 Na1 Na3 73.21(7) . 5_565 ? N2 Na1 Na3 106.79(7) 7 5_565 ? OW3 Na1 Na3 32.58(6) . 5_565 ? OW3 Na1 Na3 147.42(6) 7 5_565 ? N5 Na1 Na3 113.52(7) . 3_545 ? N5 Na1 Na3 66.48(8) 7 3_545 ? N2 Na1 Na3 106.79(7) . 3_545 ? N2 Na1 Na3 73.21(7) 7 3_545 ? OW3 Na1 Na3 147.42(6) . 3_545 ? OW3 Na1 Na3 32.58(6) 7 3_545 ? Na3 Na1 Na3 180.00(6) 5_565 3_545 ? O6 Na2 O6 180.00(11) 7_565 . ? O6 Na2 O7 89.14(8) 7_565 7_565 ? O6 Na2 O7 90.86(8) . 7_565 ? O6 Na2 O7 90.86(8) 7_565 . ? O6 Na2 O7 89.14(8) . . ? O7 Na2 O7 180.00(10) 7_565 . ? OW3 Na3 O8 119.28(11) 5_565 . ? OW3 Na3 OW4 84.10(10) 5_565 . ? O8 Na3 OW4 155.57(11) . . ? OW3 Na3 OW2 115.87(11) 5_565 5_565 ? O8 Na3 OW2 81.28(9) . 5_565 ? OW4 Na3 OW2 95.25(9) . 5_565 ? OW3 Na3 O3 119.84(10) 5_565 5_665 ? O8 Na3 O3 83.97(9) . 5_665 ? OW4 Na3 O3 77.53(8) . 5_665 ? OW2 Na3 O3 122.46(10) 5_565 5_665 ? OW3 Na3 O7 77.33(9) 5_565 . ? O8 Na3 O7 50.97(8) . . ? OW4 Na3 O7 138.37(9) . . ? OW2 Na3 O7 126.37(10) 5_565 . ? O3 Na3 O7 80.04(9) 5_665 . ? OW3 Na3 C8 98.96(11) 5_565 . ? O8 Na3 C8 26.01(9) . . ? OW4 Na3 C8 155.20(10) . . ? OW2 Na3 C8 105.23(10) 5_565 . ? O3 Na3 C8 79.69(10) 5_665 . ? O7 Na3 C8 25.03(8) . . ? OW3 Na3 Na3 117.70(8) 5_565 2 ? O8 Na3 Na3 122.92(7) . 2 ? OW4 Na3 Na3 35.25(8) . 2 ? OW2 Na3 Na3 71.67(7) 5_565 2 ? O3 Na3 Na3 71.05(7) 5_665 2 ? O7 Na3 Na3 151.09(9) . 2 ? C8 Na3 Na3 140.98(9) . 2 ? OW3 Na3 Na1 35.17(7) 5_565 3_455 ? O8 Na3 Na1 89.69(8) . 3_455 ? OW4 Na3 Na1 114.73(7) . 3_455 ? OW2 Na3 Na1 94.83(8) 5_565 3_455 ? O3 Na3 Na1 140.42(8) 5_665 3_455 ? O7 Na3 Na1 66.06(6) . 3_455 ? C8 Na3 Na1 77.85(8) . 3_455 ? Na3 Na3 Na1 140.53(5) 2 3_455 ? O2 C1 O1 125.9(3) . . ? O2 C1 C2 120.7(3) . . ? O1 C1 C2 113.4(3) . . ? N1 C2 C3 106.3(3) . . ? N1 C2 C1 114.4(3) . . ? C3 C2 C1 139.3(3) . . ? N3 C3 C2 105.9(3) . . ? N3 C3 C4 115.3(3) . . ? C2 C3 C4 138.8(3) . . ? O3 C4 O4 125.3(3) . . ? O3 C4 C3 121.3(3) . . ? O4 C4 C3 113.3(3) . . ? O6 C5 O5 124.8(3) . . ? O6 C5 C6 120.8(3) . . ? O5 C5 C6 114.4(3) . . ? N4 C6 C7 106.0(3) . . ? N4 C6 C5 115.3(3) . . ? C7 C6 C5 138.6(3) . . ? N6 C7 C6 105.9(3) . . ? N6 C7 C8 115.4(3) . . ? C6 C7 C8 138.6(3) . . ? O7 C8 O8 124.5(3) . . ? O7 C8 C7 122.3(3) . . ? O8 C8 C7 113.3(3) . . ? O7 C8 Na3 70.48(19) . . ? O8 C8 Na3 54.26(17) . . ? C7 C8 Na3 166.8(3) . . ? N2 N1 C2 110.3(3) . . ? N2 N1 Cu1 135.2(2) . . ? C2 N1 Cu1 113.7(2) . . ? N3 N2 N1 106.5(3) . . ? N3 N2 Na1 126.8(2) . . ? N1 N2 Na1 126.5(2) . . ? N2 N3 C3 111.0(3) . . ? N2 N3 Cu2 135.9(2) . . ? C3 N3 Cu2 112.6(2) . . ? N5 N4 C6 110.6(3) . . ? N5 N4 Cu2 137.4(2) . . ? C6 N4 Cu2 111.9(2) . . ? N4 N5 N6 107.4(3) . . ? N4 N5 Na1 126.3(2) . . ? N6 N5 Na1 126.0(2) . . ? N5 N6 C7 110.0(3) . . ? N5 N6 Cu1 137.4(2) . 7 ? C7 N6 Cu1 112.4(2) . 7 ? C1 O1 Cu1 116.7(2) . . ? Cu2 OW2 Na3 116.32(11) . 5_565 ? C4 O3 Na3 117.1(2) . 5_665 ? Na3 OW3 Na1 112.25(11) 5_565 . ? C4 O4 Cu2 116.0(2) . . ? Na3 OW4 Na3 109.49(15) . 2 ? C5 O5 Cu2 116.0(2) . . ? C5 O6 Na2 147.1(2) . . ? C8 O7 Na2 143.3(2) . . ? C8 O7 Na3 84.5(2) . . ? Na2 O7 Na3 132.05(10) . . ? C8 O8 Cu1 116.9(2) . 7 ? C8 O8 Na3 99.7(2) . . ? Cu1 O8 Na3 142.26(12) 7 . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.49 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.912 _refine_diff_density_min -0.627 _refine_diff_density_rms 0.127