# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Xiao-Juan Yang' _publ_contact_author_address ; Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences Lanzhou 730000 CHINA ; _publ_contact_author_email YANGXJ@LZB.AC.CN _publ_section_title ; A New Zinc-Zinc-Bonded Compound with an a-Diimine Ligand: Synthesis and Structure of [Na(THF)2]2*[LZn-ZnL] (L = [(2,6-iPr2C6H3)N(Me)C]22-) ; loop_ _publ_author_name 'Xiao-Juan Yang.' 'Yong-min Liang.' 'Yanyan Liu.' 'H. Schaefer' 'Biao Wu.' ; Yaoming Xie ; 'Jie Yu.' # Attachment 'Zn2.cif' data_Zn2 _database_code_depnum_ccdc_archive 'CCDC 638804' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C72 H112 N4 Na2 O4 Zn2' _chemical_formula_weight 1274.38 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' Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2839 1.4301 '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 13.0184(2) _cell_length_b 20.3636(4) _cell_length_c 13.8961(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.3320(10) _cell_angle_gamma 90.00 _cell_volume 3683.81(12) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description Cubic _exptl_crystal_colour orange _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.47 _exptl_crystal_size_min 0.45 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.149 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1372 _exptl_absorpt_coefficient_mu 0.709 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.7650 _exptl_absorpt_correction_T_max 1.0000 _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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22949 _diffrn_reflns_av_R_equivalents 0.0343 _diffrn_reflns_av_sigmaI/netI 0.0460 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 1.77 _diffrn_reflns_theta_max 28.50 _reflns_number_total 8772 _reflns_number_gt 5871 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART APEX II' _computing_cell_refinement 'Bruker SMART APEX II' _computing_data_reduction 'Bruker 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^)+(0.0866P)^2^+1.0071P] 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 8772 _refine_ls_number_parameters 379 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0843 _refine_ls_R_factor_gt 0.0515 _refine_ls_wR_factor_ref 0.1612 _refine_ls_wR_factor_gt 0.1392 _refine_ls_goodness_of_fit_ref 1.023 _refine_ls_restrained_S_all 1.023 _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 Zn1 Zn 0.04839(2) 0.950285(15) 0.49075(2) 0.03706(12) Uani 1 1 d . . . Na1 Na -0.01125(11) 0.79961(7) 0.49102(11) 0.0685(4) Uani 1 1 d . . . N1 N 0.11920(17) 0.88285(11) 0.57423(16) 0.0417(5) Uani 1 1 d . . . N2 N 0.08852(17) 0.88692(11) 0.38576(16) 0.0431(5) Uani 1 1 d . . . C1 C 0.2465(3) 0.78939(17) 0.5660(3) 0.0651(9) Uani 1 1 d . . . H1A H 0.3144 0.8070 0.5733 0.098 Uiso 1 1 calc R . . H1B H 0.2491 0.7502 0.5276 0.098 Uiso 1 1 calc R . . H1C H 0.2191 0.7790 0.6282 0.098 Uiso 1 1 calc R . . C2 C 0.1781(2) 0.83961(13) 0.5170(2) 0.0435(6) Uani 1 1 d . . . C3 C 0.1620(2) 0.84144(13) 0.4200(2) 0.0433(6) Uani 1 1 d . . . C4 C 0.2108(3) 0.79349(16) 0.3511(2) 0.0612(9) Uani 1 1 d . . . H4A H 0.2740 0.8115 0.3275 0.092 Uiso 1 1 calc R . . H4B H 0.1649 0.7855 0.2981 0.092 Uiso 1 1 calc R . . H4C H 0.2246 0.7529 0.3839 0.092 Uiso 1 1 calc R . . C5 C 0.1560(2) 0.89756(14) 0.6678(2) 0.0443(6) Uani 1 1 d . . . C6 C 0.0945(3) 0.88333(16) 0.7486(2) 0.0527(7) Uani 1 1 d . . . C7 C 0.1318(3) 0.89896(19) 0.8403(2) 0.0687(10) Uani 1 1 d . . . H7A H 0.0905 0.8906 0.8934 0.082 Uiso 1 1 calc R . . C8 C 0.2265(3) 0.9260(2) 0.8548(3) 0.0751(11) Uani 1 1 d . . . H8A H 0.2503 0.9347 0.9168 0.090 Uiso 1 1 calc R . . C9 C 0.2863(3) 0.9403(2) 0.7765(3) 0.0719(10) Uani 1 1 d . . . H9A H 0.3506 0.9591 0.7862 0.086 Uiso 1 1 calc R . . C10 C 0.2530(2) 0.92741(17) 0.6829(2) 0.0547(8) Uani 1 1 d . . . C11 C -0.0086(3) 0.8497(2) 0.7377(2) 0.0657(9) Uani 1 1 d . . . H11A H -0.0370 0.8628 0.6751 0.079 Uiso 1 1 calc R . . C12 C 0.0039(4) 0.7771(2) 0.7357(4) 0.1169(18) Uani 1 1 d . . . H12A H 0.0535 0.7654 0.6879 0.175 Uiso 1 1 calc R . . H12B H -0.0609 0.7570 0.7204 0.175 Uiso 1 1 calc R . . H12C H 0.0270 0.7621 0.7977 0.175 Uiso 1 1 calc R . . C13 C -0.0873(3) 0.8683(3) 0.8138(3) 0.1020(15) Uani 1 1 d . . . H13A H -0.1502 0.8450 0.8018 0.153 Uiso 1 1 calc R . . H13B H -0.1000 0.9147 0.8110 0.153 Uiso 1 1 calc R . . H13C H -0.0613 0.8570 0.8764 0.153 Uiso 1 1 calc R . . C14 C 0.3190(3) 0.9501(2) 0.5997(3) 0.0722(10) Uani 1 1 d . . . H14A H 0.2877 0.9339 0.5399 0.087 Uiso 1 1 calc R . . C15 C 0.4292(4) 0.9228(3) 0.6061(5) 0.124(2) Uani 1 1 d . . . H15A H 0.4269 0.8757 0.6089 0.186 Uiso 1 1 calc R . . H15B H 0.4622 0.9394 0.6630 0.186 Uiso 1 1 calc R . . H15C H 0.4671 0.9362 0.5504 0.186 Uiso 1 1 calc R . . C16 C 0.3208(4) 1.0246(3) 0.5952(3) 0.0944(14) Uani 1 1 d . . . H16A H 0.2517 1.0409 0.5912 0.142 Uiso 1 1 calc R . . H16B H 0.3583 1.0384 0.5394 0.142 Uiso 1 1 calc R . . H16C H 0.3534 1.0416 0.6520 0.142 Uiso 1 1 calc R . . C17 C 0.0931(2) 0.90652(14) 0.2876(2) 0.0479(7) Uani 1 1 d . . . C18 C 0.1821(3) 0.93574(17) 0.2484(2) 0.0595(8) Uani 1 1 d . . . C19 C 0.1805(4) 0.95491(19) 0.1523(3) 0.0789(12) Uani 1 1 d . . . H19A H 0.2399 0.9725 0.1259 0.095 Uiso 1 1 calc R . . C20 C 0.0963(4) 0.9490(2) 0.0958(3) 0.0820(13) Uani 1 1 d . . . H20A H 0.0977 0.9634 0.0324 0.098 Uiso 1 1 calc R . . C21 C 0.0091(4) 0.9216(2) 0.1325(3) 0.0749(11) Uani 1 1 d . . . H21A H -0.0490 0.9179 0.0936 0.090 Uiso 1 1 calc R . . C22 C 0.0055(3) 0.89901(16) 0.2281(2) 0.0544(8) Uani 1 1 d . . . C23 C 0.2757(3) 0.9515(2) 0.3095(3) 0.0760(11) Uani 1 1 d . . . H23A H 0.2677 0.9291 0.3714 0.091 Uiso 1 1 calc R . . C24 C 0.2796(4) 1.0255(2) 0.3293(3) 0.0939(14) Uani 1 1 d . . . H24A H 0.2156 1.0394 0.3566 0.141 Uiso 1 1 calc R . . H24B H 0.2910 1.0486 0.2701 0.141 Uiso 1 1 calc R . . H24C H 0.3346 1.0348 0.3735 0.141 Uiso 1 1 calc R . . C25 C 0.3775(4) 0.9289(3) 0.2659(4) 0.1108(17) Uani 1 1 d . . . H25A H 0.3747 0.8825 0.2536 0.166 Uiso 1 1 calc R . . H25B H 0.4326 0.9381 0.3100 0.166 Uiso 1 1 calc R . . H25C H 0.3890 0.9519 0.2066 0.166 Uiso 1 1 calc R . . C26 C -0.0893(3) 0.86402(19) 0.2646(3) 0.0647(9) Uani 1 1 d . . . H26A H -0.0975 0.8767 0.3322 0.078 Uiso 1 1 calc R . . C27 C -0.1899(3) 0.8805(3) 0.2132(3) 0.1008(16) Uani 1 1 d . . . H27A H -0.2002 0.9272 0.2140 0.151 Uiso 1 1 calc R . . H27B H -0.2458 0.8593 0.2456 0.151 Uiso 1 1 calc R . . H27C H -0.1869 0.8654 0.1479 0.151 Uiso 1 1 calc R . . C28 C -0.0742(4) 0.7898(2) 0.2627(4) 0.0920(13) Uani 1 1 d . . . H28A H -0.0110 0.7789 0.2949 0.138 Uiso 1 1 calc R . . H28B H -0.0716 0.7750 0.1972 0.138 Uiso 1 1 calc R . . H28C H -0.1304 0.7689 0.2949 0.138 Uiso 1 1 calc R . . C29 C -0.2493(6) 0.8231(4) 0.5289(11) 0.290(8) Uani 1 1 d . . . H29A H -0.2558 0.8482 0.4699 0.348 Uiso 1 1 calc R . . H29B H -0.2261 0.8528 0.5792 0.348 Uiso 1 1 calc R . . C30 C -0.3494(6) 0.7972(4) 0.5546(10) 0.252(7) Uani 1 1 d . . . H30A H -0.3688 0.8120 0.6183 0.302 Uiso 1 1 calc R . . H30B H -0.4011 0.8118 0.5088 0.302 Uiso 1 1 calc R . . C31 C -0.3413(5) 0.7334(4) 0.5528(7) 0.174(3) Uani 1 1 d . . . H31A H -0.3849 0.7151 0.5027 0.209 Uiso 1 1 calc R . . H31B H -0.3619 0.7149 0.6141 0.209 Uiso 1 1 calc R . . C32 C -0.2325(6) 0.7182(3) 0.5336(9) 0.236(6) Uani 1 1 d . . . H32A H -0.2019 0.6957 0.5882 0.284 Uiso 1 1 calc R . . H32B H -0.2268 0.6901 0.4775 0.284 Uiso 1 1 calc R . . C33 C 0.0133(8) 0.6455(3) 0.4029(5) 0.181(4) Uani 1 1 d . . . H33A H 0.0480 0.6658 0.3489 0.218 Uiso 1 1 calc R . . H33B H -0.0585 0.6399 0.3858 0.218 Uiso 1 1 calc R . . C34 C 0.0572(10) 0.5849(4) 0.4227(8) 0.235(6) Uani 1 1 d . . . H34A H 0.0052 0.5508 0.4195 0.282 Uiso 1 1 calc R . . H34B H 0.1096 0.5751 0.3755 0.282 Uiso 1 1 calc R . . C35 C 0.0588(10) 0.6424(4) 0.5564(6) 0.218(5) Uani 1 1 d . . . H35A H 0.1116 0.6643 0.5941 0.261 Uiso 1 1 calc R . . H35B H 0.0033 0.6301 0.5990 0.261 Uiso 1 1 calc R . . C36 C 0.0993(9) 0.5868(4) 0.5118(8) 0.251(7) Uani 1 1 d . . . H36A H 0.1735 0.5899 0.5080 0.301 Uiso 1 1 calc R . . H36B H 0.0817 0.5475 0.5476 0.301 Uiso 1 1 calc R . . O1 O -0.1822(2) 0.77843(15) 0.5173(2) 0.0925(9) Uani 1 1 d . . . O2 O 0.0217(3) 0.68488(15) 0.4825(3) 0.1047(11) 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 Zn1 0.03874(18) 0.03866(18) 0.03377(18) -0.00336(13) -0.00095(12) 0.00462(13) Na1 0.0587(8) 0.0610(8) 0.0859(10) -0.0076(7) 0.0061(7) -0.0105(6) N1 0.0459(12) 0.0439(12) 0.0352(12) -0.0014(10) -0.0034(10) 0.0053(10) N2 0.0479(13) 0.0447(13) 0.0368(12) -0.0077(10) -0.0003(10) 0.0052(10) C1 0.068(2) 0.0564(19) 0.071(2) 0.0037(17) -0.0055(18) 0.0226(16) C2 0.0394(14) 0.0402(14) 0.0511(17) 0.0008(12) 0.0007(12) 0.0073(11) C3 0.0464(15) 0.0395(14) 0.0440(16) -0.0055(12) 0.0037(12) 0.0031(12) C4 0.068(2) 0.0556(19) 0.060(2) -0.0125(16) 0.0112(16) 0.0152(16) C5 0.0501(16) 0.0441(15) 0.0387(15) 0.0021(12) -0.0043(12) 0.0065(12) C6 0.0628(19) 0.0560(18) 0.0392(16) 0.0011(13) -0.0042(14) -0.0015(15) C7 0.090(3) 0.079(2) 0.0375(17) 0.0054(16) -0.0044(17) -0.008(2) C8 0.095(3) 0.088(3) 0.0427(19) -0.0033(18) -0.0196(19) -0.009(2) C9 0.061(2) 0.086(3) 0.068(2) -0.004(2) -0.0211(19) -0.0048(18) C10 0.0500(17) 0.0651(19) 0.0489(18) 0.0006(15) -0.0052(14) 0.0004(15) C11 0.073(2) 0.079(2) 0.0453(18) -0.0013(17) 0.0067(16) -0.0177(19) C12 0.107(4) 0.081(3) 0.162(5) -0.015(3) 0.017(4) -0.025(3) C13 0.088(3) 0.126(4) 0.092(3) -0.017(3) 0.022(3) -0.015(3) C14 0.054(2) 0.094(3) 0.069(2) -0.006(2) 0.0038(17) -0.0151(19) C15 0.069(3) 0.143(5) 0.159(5) -0.016(4) 0.039(3) -0.005(3) C16 0.097(3) 0.099(3) 0.088(3) 0.009(3) 0.016(3) -0.026(3) C17 0.0632(18) 0.0457(15) 0.0348(15) -0.0093(12) 0.0017(13) 0.0066(13) C18 0.073(2) 0.060(2) 0.0457(18) -0.0056(14) 0.0076(16) -0.0056(16) C19 0.111(3) 0.077(3) 0.049(2) 0.0009(18) 0.020(2) -0.015(2) C20 0.128(4) 0.080(3) 0.0379(19) -0.0006(18) 0.004(2) -0.006(3) C21 0.101(3) 0.081(3) 0.0421(19) -0.0095(18) -0.016(2) 0.006(2) C22 0.071(2) 0.0527(17) 0.0392(16) -0.0096(13) -0.0043(15) 0.0063(15) C23 0.075(2) 0.082(3) 0.071(3) -0.001(2) 0.010(2) -0.019(2) C24 0.096(3) 0.097(3) 0.089(3) -0.018(3) 0.002(3) -0.024(3) C25 0.077(3) 0.106(4) 0.150(5) -0.007(4) 0.021(3) -0.009(3) C26 0.061(2) 0.080(2) 0.0530(19) -0.0105(17) -0.0129(16) 0.0051(18) C27 0.078(3) 0.138(4) 0.086(3) -0.010(3) -0.029(2) 0.016(3) C28 0.081(3) 0.082(3) 0.113(4) -0.007(3) -0.005(3) -0.011(2) C29 0.118(6) 0.108(6) 0.65(2) 0.065(10) 0.114(10) 0.022(5) C30 0.102(5) 0.133(7) 0.52(2) 0.042(10) 0.129(8) 0.017(5) C31 0.100(5) 0.140(7) 0.283(10) 0.010(7) 0.061(5) -0.035(4) C32 0.114(6) 0.102(5) 0.494(18) 0.005(8) 0.078(8) -0.027(4) C33 0.314(11) 0.083(4) 0.147(6) -0.014(4) -0.071(7) -0.005(6) C34 0.346(15) 0.134(8) 0.224(11) -0.062(7) -0.075(10) 0.087(9) C35 0.418(16) 0.109(6) 0.126(6) -0.013(5) -0.037(8) 0.006(8) C36 0.340(14) 0.115(6) 0.296(13) -0.068(7) -0.217(12) 0.080(7) O1 0.0692(17) 0.0759(19) 0.133(3) -0.0094(18) 0.0161(17) -0.0152(15) O2 0.120(3) 0.0599(18) 0.134(3) -0.0158(19) -0.017(2) 0.0017(17) _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 Zn1 N1 2.017(2) . ? Zn1 N2 2.019(2) . ? Zn1 Zn1 2.3994(6) 3_576 ? Zn1 Na1 3.1650(14) . ? Na1 O1 2.298(3) . ? Na1 O2 2.379(3) . ? Na1 C3 2.610(3) . ? Na1 C2 2.619(3) . ? Na1 N2 2.648(3) . ? Na1 N1 2.659(3) . ? N1 C5 1.415(3) . ? N1 C2 1.416(3) . ? N2 C3 1.412(3) . ? N2 C17 1.423(4) . ? C1 C2 1.515(4) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 C3 1.362(4) . ? C3 C4 1.510(4) . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 C6 1.413(4) . ? C5 C10 1.416(4) . ? C6 C7 1.398(4) . ? C6 C11 1.513(5) . ? C7 C8 1.365(5) . ? C7 H7A 0.9300 . ? C8 C9 1.372(5) . ? C8 H8A 0.9300 . ? C9 C10 1.394(5) . ? C9 H9A 0.9300 . ? C10 C14 1.517(5) . ? C11 C12 1.487(6) . ? C11 C13 1.525(5) . ? C11 H11A 0.9800 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 C16 1.518(6) . ? C14 C15 1.541(6) . ? C14 H14A 0.9800 . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 C22 1.413(4) . ? C17 C18 1.414(5) . ? C18 C19 1.392(5) . ? C18 C23 1.514(5) . ? C19 C20 1.350(6) . ? C19 H19A 0.9300 . ? C20 C21 1.365(6) . ? C20 H20A 0.9300 . ? C21 C22 1.407(5) . ? C21 H21A 0.9300 . ? C22 C26 1.515(5) . ? C23 C25 1.531(6) . ? C23 C24 1.533(6) . ? C23 H23A 0.9800 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C26 C28 1.524(6) . ? C26 C27 1.525(5) . ? C26 H26A 0.9800 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 O1 1.273(8) . ? C29 C30 1.452(10) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 C31 1.304(9) . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C32 1.476(9) . ? C31 H31A 0.9700 . ? C31 H31B 0.9700 . ? C32 O1 1.410(7) . ? C32 H32A 0.9700 . ? C32 H32B 0.9700 . ? C33 O2 1.370(7) . ? C33 C34 1.386(10) . ? C33 H33A 0.9700 . ? C33 H33B 0.9700 . ? C34 C36 1.352(11) . ? C34 H34A 0.9700 . ? C34 H34B 0.9700 . ? C35 C36 1.395(11) . ? C35 O2 1.425(8) . ? C35 H35A 0.9700 . ? C35 H35B 0.9700 . ? C36 H36A 0.9700 . ? C36 H36B 0.9700 . ? 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 Zn1 N2 82.02(9) . . ? N1 Zn1 Zn1 138.71(7) . 3_576 ? N2 Zn1 Zn1 139.03(7) . 3_576 ? N1 Zn1 Na1 56.68(7) . . ? N2 Zn1 Na1 56.34(7) . . ? Zn1 Zn1 Na1 133.55(3) 3_576 . ? O1 Na1 O2 89.93(13) . . ? O1 Na1 C3 163.98(13) . . ? O2 Na1 C3 98.34(13) . . ? O1 Na1 C2 161.44(12) . . ? O2 Na1 C2 98.18(12) . . ? C3 Na1 C2 30.20(9) . . ? O1 Na1 N2 133.83(12) . . ? O2 Na1 N2 122.87(13) . . ? C3 Na1 N2 31.16(8) . . ? C2 Na1 N2 53.33(8) . . ? O1 Na1 N1 131.84(11) . . ? O2 Na1 N1 122.19(12) . . ? C3 Na1 N1 53.50(8) . . ? C2 Na1 N1 31.10(8) . . ? N2 Na1 N1 59.87(7) . . ? O1 Na1 Zn1 114.83(9) . . ? O2 Na1 Zn1 155.20(11) . . ? C3 Na1 Zn1 58.04(6) . . ? C2 Na1 Zn1 57.86(6) . . ? N2 Na1 Zn1 39.39(5) . . ? N1 Na1 Zn1 39.33(5) . . ? C5 N1 C2 117.8(2) . . ? C5 N1 Zn1 122.38(17) . . ? C2 N1 Zn1 110.33(17) . . ? C5 N1 Na1 138.29(18) . . ? C2 N1 Na1 72.90(15) . . ? Zn1 N1 Na1 83.99(8) . . ? C3 N2 C17 118.4(2) . . ? C3 N2 Zn1 110.67(17) . . ? C17 N2 Zn1 121.74(18) . . ? C3 N2 Na1 72.96(15) . . ? C17 N2 Na1 137.86(18) . . ? Zn1 N2 Na1 84.27(8) . . ? C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C3 C2 N1 117.3(2) . . ? C3 C2 C1 123.3(3) . . ? N1 C2 C1 119.1(3) . . ? C3 C2 Na1 74.52(17) . . ? N1 C2 Na1 76.00(15) . . ? C1 C2 Na1 113.7(2) . . ? C2 C3 N2 116.8(2) . . ? C2 C3 C4 123.1(3) . . ? N2 C3 C4 119.8(3) . . ? C2 C3 Na1 75.28(17) . . ? N2 C3 Na1 75.89(15) . . ? C4 C3 Na1 113.3(2) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C6 C5 N1 119.7(3) . . ? C6 C5 C10 118.6(3) . . ? N1 C5 C10 121.6(3) . . ? C7 C6 C5 118.8(3) . . ? C7 C6 C11 119.8(3) . . ? C5 C6 C11 121.3(3) . . ? C8 C7 C6 122.3(3) . . ? C8 C7 H7A 118.8 . . ? C6 C7 H7A 118.8 . . ? C7 C8 C9 119.1(3) . . ? C7 C8 H8A 120.5 . . ? C9 C8 H8A 120.5 . . ? C8 C9 C10 121.6(3) . . ? C8 C9 H9A 119.2 . . ? C10 C9 H9A 119.2 . . ? C9 C10 C5 119.5(3) . . ? C9 C10 C14 118.7(3) . . ? C5 C10 C14 121.7(3) . . ? C12 C11 C6 110.8(4) . . ? C12 C11 C13 109.5(4) . . ? C6 C11 C13 114.6(3) . . ? C12 C11 H11A 107.2 . . ? C6 C11 H11A 107.2 . . ? C13 C11 H11A 107.2 . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C10 C14 C16 110.2(3) . . ? C10 C14 C15 112.1(4) . . ? C16 C14 C15 110.4(4) . . ? C10 C14 H14A 108.0 . . ? C16 C14 H14A 108.0 . . ? C15 C14 H14A 108.0 . . ? C14 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C14 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C14 C16 H16A 109.5 . . ? C14 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C14 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C22 C17 C18 118.7(3) . . ? C22 C17 N2 119.5(3) . . ? C18 C17 N2 121.7(3) . . ? C19 C18 C17 118.6(3) . . ? C19 C18 C23 119.1(3) . . ? C17 C18 C23 122.1(3) . . ? C20 C19 C18 122.7(4) . . ? C20 C19 H19A 118.6 . . ? C18 C19 H19A 118.6 . . ? C19 C20 C21 119.6(4) . . ? C19 C20 H20A 120.2 . . ? C21 C20 H20A 120.2 . . ? C20 C21 C22 121.2(4) . . ? C20 C21 H21A 119.4 . . ? C22 C21 H21A 119.4 . . ? C21 C22 C17 119.1(3) . . ? C21 C22 C26 120.1(3) . . ? C17 C22 C26 120.7(3) . . ? C18 C23 C25 114.2(4) . . ? C18 C23 C24 109.5(4) . . ? C25 C23 C24 109.8(4) . . ? C18 C23 H23A 107.7 . . ? C25 C23 H23A 107.7 . . ? C24 C23 H23A 107.7 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C23 C25 H25A 109.5 . . ? C23 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? C23 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C22 C26 C28 110.8(3) . . ? C22 C26 C27 116.0(3) . . ? C28 C26 C27 108.7(3) . . ? C22 C26 H26A 107.0 . . ? C28 C26 H26A 107.0 . . ? C27 C26 H26A 107.0 . . ? C26 C27 H27A 109.5 . . ? C26 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C26 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C26 C28 H28A 109.5 . . ? C26 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C26 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? O1 C29 C30 112.9(7) . . ? O1 C29 H29A 109.0 . . ? C30 C29 H29A 109.0 . . ? O1 C29 H29B 109.0 . . ? C30 C29 H29B 109.0 . . ? H29A C29 H29B 107.8 . . ? C31 C30 C29 106.6(7) . . ? C31 C30 H30A 110.4 . . ? C29 C30 H30A 110.4 . . ? C31 C30 H30B 110.4 . . ? C29 C30 H30B 110.4 . . ? H30A C30 H30B 108.6 . . ? C30 C31 C32 106.9(6) . . ? C30 C31 H31A 110.3 . . ? C32 C31 H31A 110.3 . . ? C30 C31 H31B 110.3 . . ? C32 C31 H31B 110.3 . . ? H31A C31 H31B 108.6 . . ? O1 C32 C31 107.1(6) . . ? O1 C32 H32A 110.3 . . ? C31 C32 H32A 110.3 . . ? O1 C32 H32B 110.3 . . ? C31 C32 H32B 110.3 . . ? H32A C32 H32B 108.6 . . ? O2 C33 C34 109.3(6) . . ? O2 C33 H33A 109.8 . . ? C34 C33 H33A 109.8 . . ? O2 C33 H33B 109.8 . . ? C34 C33 H33B 109.8 . . ? H33A C33 H33B 108.3 . . ? C36 C34 C33 108.7(7) . . ? C36 C34 H34A 109.9 . . ? C33 C34 H34A 109.9 . . ? C36 C34 H34B 109.9 . . ? C33 C34 H34B 109.9 . . ? H34A C34 H34B 108.3 . . ? C36 C35 O2 107.4(7) . . ? C36 C35 H35A 110.2 . . ? O2 C35 H35A 110.2 . . ? C36 C35 H35B 110.2 . . ? O2 C35 H35B 110.2 . . ? H35A C35 H35B 108.5 . . ? C34 C36 C35 106.1(7) . . ? C34 C36 H36A 110.5 . . ? C35 C36 H36A 110.5 . . ? C34 C36 H36B 110.5 . . ? C35 C36 H36B 110.5 . . ? H36A C36 H36B 108.7 . . ? C29 O1 C32 106.4(5) . . ? C29 O1 Na1 123.5(4) . . ? C32 O1 Na1 129.8(4) . . ? C33 O2 C35 104.6(5) . . ? C33 O2 Na1 127.0(4) . . ? C35 O2 Na1 128.4(4) . . ? 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 Zn1 Na1 O1 126.51(14) . . . . ? N2 Zn1 Na1 O1 -129.71(14) . . . . ? Zn1 Zn1 Na1 O1 -1.49(13) 3_576 . . . ? N1 Zn1 Na1 O2 -50.4(3) . . . . ? N2 Zn1 Na1 O2 53.4(3) . . . . ? Zn1 Zn1 Na1 O2 -178.4(3) 3_576 . . . ? N1 Zn1 Na1 C3 -69.83(11) . . . . ? N2 Zn1 Na1 C3 33.95(10) . . . . ? Zn1 Zn1 Na1 C3 162.17(8) 3_576 . . . ? N1 Zn1 Na1 C2 -34.04(11) . . . . ? N2 Zn1 Na1 C2 69.75(11) . . . . ? Zn1 Zn1 Na1 C2 -162.03(8) 3_576 . . . ? N1 Zn1 Na1 N2 -103.78(11) . . . . ? Zn1 Zn1 Na1 N2 128.22(8) 3_576 . . . ? N2 Zn1 Na1 N1 103.78(11) . . . . ? Zn1 Zn1 Na1 N1 -128.00(8) 3_576 . . . ? N2 Zn1 N1 C5 160.0(2) . . . . ? Zn1 Zn1 N1 C5 -25.2(3) 3_576 . . . ? Na1 Zn1 N1 C5 -145.3(2) . . . . ? N2 Zn1 N1 C2 14.53(18) . . . . ? Zn1 Zn1 N1 C2 -170.69(14) 3_576 . . . ? Na1 Zn1 N1 C2 69.24(17) . . . . ? N2 Zn1 N1 Na1 -54.71(8) . . . . ? Zn1 Zn1 N1 Na1 120.06(8) 3_576 . . . ? O1 Na1 N1 C5 55.5(3) . . . . ? O2 Na1 N1 C5 -68.7(3) . . . . ? C3 Na1 N1 C5 -144.1(3) . . . . ? C2 Na1 N1 C5 -112.8(3) . . . . ? N2 Na1 N1 C5 179.2(3) . . . . ? Zn1 Na1 N1 C5 133.7(3) . . . . ? O1 Na1 N1 C2 168.28(19) . . . . ? O2 Na1 N1 C2 44.1(2) . . . . ? C3 Na1 N1 C2 -31.26(15) . . . . ? N2 Na1 N1 C2 -68.00(15) . . . . ? Zn1 Na1 N1 C2 -113.45(17) . . . . ? O1 Na1 N1 Zn1 -78.27(16) . . . . ? O2 Na1 N1 Zn1 157.54(14) . . . . ? C3 Na1 N1 Zn1 82.18(10) . . . . ? C2 Na1 N1 Zn1 113.45(17) . . . . ? N2 Na1 N1 Zn1 45.45(7) . . . . ? N1 Zn1 N2 C3 -14.32(18) . . . . ? Zn1 Zn1 N2 C3 170.94(14) 3_576 . . . ? Na1 Zn1 N2 C3 -69.35(18) . . . . ? N1 Zn1 N2 C17 -160.5(2) . . . . ? Zn1 Zn1 N2 C17 24.8(3) 3_576 . . . ? Na1 Zn1 N2 C17 144.5(2) . . . . ? N1 Zn1 N2 Na1 55.03(8) . . . . ? Zn1 Zn1 N2 Na1 -119.71(8) 3_576 . . . ? O1 Na1 N2 C3 -170.88(19) . . . . ? O2 Na1 N2 C3 -42.7(2) . . . . ? C2 Na1 N2 C3 31.66(15) . . . . ? N1 Na1 N2 C3 68.32(15) . . . . ? Zn1 Na1 N2 C3 113.69(16) . . . . ? O1 Na1 N2 C17 -57.2(3) . . . . ? O2 Na1 N2 C17 71.0(3) . . . . ? C3 Na1 N2 C17 113.7(3) . . . . ? C2 Na1 N2 C17 145.3(3) . . . . ? N1 Na1 N2 C17 -178.0(3) . . . . ? Zn1 Na1 N2 C17 -132.6(3) . . . . ? O1 Na1 N2 Zn1 75.42(16) . . . . ? O2 Na1 N2 Zn1 -156.38(13) . . . . ? C3 Na1 N2 Zn1 -113.69(16) . . . . ? C2 Na1 N2 Zn1 -82.04(10) . . . . ? N1 Na1 N2 Zn1 -45.38(7) . . . . ? C5 N1 C2 C3 -159.9(3) . . . . ? Zn1 N1 C2 C3 -12.6(3) . . . . ? Na1 N1 C2 C3 64.0(2) . . . . ? C5 N1 C2 C1 26.5(4) . . . . ? Zn1 N1 C2 C1 173.8(2) . . . . ? Na1 N1 C2 C1 -109.6(3) . . . . ? C5 N1 C2 Na1 136.1(2) . . . . ? Zn1 N1 C2 Na1 -76.65(12) . . . . ? O1 Na1 C2 C3 -152.3(4) . . . . ? O2 Na1 C2 C3 92.54(19) . . . . ? N2 Na1 C2 C3 -32.67(15) . . . . ? N1 Na1 C2 C3 -124.0(2) . . . . ? Zn1 Na1 C2 C3 -80.60(16) . . . . ? O1 Na1 C2 N1 -28.4(4) . . . . ? O2 Na1 C2 N1 -143.49(17) . . . . ? C3 Na1 C2 N1 124.0(2) . . . . ? N2 Na1 C2 N1 91.30(16) . . . . ? Zn1 Na1 C2 N1 43.37(12) . . . . ? O1 Na1 C2 C1 87.6(4) . . . . ? O2 Na1 C2 C1 -27.6(2) . . . . ? C3 Na1 C2 C1 -120.1(3) . . . . ? N2 Na1 C2 C1 -152.8(2) . . . . ? N1 Na1 C2 C1 115.9(3) . . . . ? Zn1 Na1 C2 C1 159.3(2) . . . . ? N1 C2 C3 N2 0.6(4) . . . . ? C1 C2 C3 N2 173.9(3) . . . . ? Na1 C2 C3 N2 65.5(2) . . . . ? N1 C2 C3 C4 -173.4(3) . . . . ? C1 C2 C3 C4 0.0(5) . . . . ? Na1 C2 C3 C4 -108.5(3) . . . . ? N1 C2 C3 Na1 -64.8(2) . . . . ? C1 C2 C3 Na1 108.5(3) . . . . ? C17 N2 C3 C2 159.2(3) . . . . ? Zn1 N2 C3 C2 11.7(3) . . . . ? Na1 N2 C3 C2 -65.1(2) . . . . ? C17 N2 C3 C4 -26.6(4) . . . . ? Zn1 N2 C3 C4 -174.1(2) . . . . ? Na1 N2 C3 C4 109.1(3) . . . . ? C17 N2 C3 Na1 -135.7(2) . . . . ? Zn1 N2 C3 Na1 76.86(13) . . . . ? O1 Na1 C3 C2 147.7(4) . . . . ? O2 Na1 C3 C2 -91.95(19) . . . . ? N2 Na1 C3 C2 123.2(2) . . . . ? N1 Na1 C3 C2 32.21(15) . . . . ? Zn1 Na1 C3 C2 79.95(15) . . . . ? O1 Na1 C3 N2 24.5(5) . . . . ? O2 Na1 C3 N2 144.87(17) . . . . ? C2 Na1 C3 N2 -123.2(2) . . . . ? N1 Na1 C3 N2 -90.98(15) . . . . ? Zn1 Na1 C3 N2 -43.23(12) . . . . ? O1 Na1 C3 C4 -92.2(5) . . . . ? O2 Na1 C3 C4 28.2(2) . . . . ? C2 Na1 C3 C4 120.1(3) . . . . ? N2 Na1 C3 C4 -116.7(3) . . . . ? N1 Na1 C3 C4 152.3(2) . . . . ? Zn1 Na1 C3 C4 -159.9(2) . . . . ? C2 N1 C5 C6 -121.3(3) . . . . ? Zn1 N1 C5 C6 95.6(3) . . . . ? Na1 N1 C5 C6 -26.1(4) . . . . ? C2 N1 C5 C10 59.7(4) . . . . ? Zn1 N1 C5 C10 -83.3(3) . . . . ? Na1 N1 C5 C10 155.0(2) . . . . ? N1 C5 C6 C7 -179.2(3) . . . . ? C10 C5 C6 C7 -0.3(5) . . . . ? N1 C5 C6 C11 2.8(5) . . . . ? C10 C5 C6 C11 -178.2(3) . . . . ? C5 C6 C7 C8 -1.6(6) . . . . ? C11 C6 C7 C8 176.3(4) . . . . ? C6 C7 C8 C9 2.0(6) . . . . ? C7 C8 C9 C10 -0.5(6) . . . . ? C8 C9 C10 C5 -1.3(6) . . . . ? C8 C9 C10 C14 174.6(4) . . . . ? C6 C5 C10 C9 1.7(5) . . . . ? N1 C5 C10 C9 -179.4(3) . . . . ? C6 C5 C10 C14 -174.1(3) . . . . ? N1 C5 C10 C14 4.9(5) . . . . ? C7 C6 C11 C12 -92.0(4) . . . . ? C5 C6 C11 C12 85.9(4) . . . . ? C7 C6 C11 C13 32.5(5) . . . . ? C5 C6 C11 C13 -149.6(4) . . . . ? C9 C10 C14 C16 -67.1(5) . . . . ? C5 C10 C14 C16 108.7(4) . . . . ? C9 C10 C14 C15 56.3(5) . . . . ? C5 C10 C14 C15 -128.0(4) . . . . ? C3 N2 C17 C22 124.6(3) . . . . ? Zn1 N2 C17 C22 -91.7(3) . . . . ? Na1 N2 C17 C22 28.9(4) . . . . ? C3 N2 C17 C18 -57.8(4) . . . . ? Zn1 N2 C17 C18 85.9(3) . . . . ? Na1 N2 C17 C18 -153.5(2) . . . . ? C22 C17 C18 C19 -1.1(5) . . . . ? N2 C17 C18 C19 -178.7(3) . . . . ? C22 C17 C18 C23 174.1(3) . . . . ? N2 C17 C18 C23 -3.5(5) . . . . ? C17 C18 C19 C20 2.5(6) . . . . ? C23 C18 C19 C20 -172.9(4) . . . . ? C18 C19 C20 C21 -1.7(6) . . . . ? C19 C20 C21 C22 -0.5(6) . . . . ? C20 C21 C22 C17 1.8(5) . . . . ? C20 C21 C22 C26 -175.1(4) . . . . ? C18 C17 C22 C21 -0.9(5) . . . . ? N2 C17 C22 C21 176.7(3) . . . . ? C18 C17 C22 C26 176.0(3) . . . . ? N2 C17 C22 C26 -6.4(4) . . . . ? C19 C18 C23 C25 -52.4(5) . . . . ? C17 C18 C23 C25 132.4(4) . . . . ? C19 C18 C23 C24 71.2(5) . . . . ? C17 C18 C23 C24 -104.0(4) . . . . ? C21 C22 C26 C28 98.9(4) . . . . ? C17 C22 C26 C28 -77.9(4) . . . . ? C21 C22 C26 C27 -25.6(5) . . . . ? C17 C22 C26 C27 157.5(3) . . . . ? O1 C29 C30 C31 -3.4(18) . . . . ? C29 C30 C31 C32 4.6(16) . . . . ? C30 C31 C32 O1 -4.5(14) . . . . ? O2 C33 C34 C36 -3.9(15) . . . . ? C33 C34 C36 C35 14.9(16) . . . . ? O2 C35 C36 C34 -20.2(15) . . . . ? C30 C29 O1 C32 0.5(14) . . . . ? C30 C29 O1 Na1 -173.8(8) . . . . ? C31 C32 O1 C29 2.3(12) . . . . ? C31 C32 O1 Na1 176.1(5) . . . . ? O2 Na1 O1 C29 -179.8(9) . . . . ? C3 Na1 O1 C29 -58.4(10) . . . . ? C2 Na1 O1 C29 63.9(10) . . . . ? N2 Na1 O1 C29 -41.1(9) . . . . ? N1 Na1 O1 C29 44.6(9) . . . . ? Zn1 Na1 O1 C29 1.5(9) . . . . ? O2 Na1 O1 C32 7.3(7) . . . . ? C3 Na1 O1 C32 128.7(8) . . . . ? C2 Na1 O1 C32 -109.0(8) . . . . ? N2 Na1 O1 C32 146.0(7) . . . . ? N1 Na1 O1 C32 -128.2(7) . . . . ? Zn1 Na1 O1 C32 -171.4(7) . . . . ? C34 C33 O2 C35 -8.5(11) . . . . ? C34 C33 O2 Na1 168.9(7) . . . . ? C36 C35 O2 C33 17.6(11) . . . . ? C36 C35 O2 Na1 -159.8(6) . . . . ? O1 Na1 O2 C33 86.1(6) . . . . ? C3 Na1 O2 C33 -80.1(6) . . . . ? C2 Na1 O2 C33 -110.6(6) . . . . ? N2 Na1 O2 C33 -59.4(6) . . . . ? N1 Na1 O2 C33 -131.9(6) . . . . ? Zn1 Na1 O2 C33 -96.7(7) . . . . ? O1 Na1 O2 C35 -97.1(7) . . . . ? C3 Na1 O2 C35 96.7(7) . . . . ? C2 Na1 O2 C35 66.2(7) . . . . ? N2 Na1 O2 C35 117.5(7) . . . . ? N1 Na1 O2 C35 44.9(7) . . . . ? Zn1 Na1 O2 C35 80.1(8) . . . . ? _diffrn_measured_fraction_theta_max 0.958 _diffrn_reflns_theta_full 28.50 _diffrn_measured_fraction_theta_full 0.958 _refine_diff_density_max 0.834 _refine_diff_density_min -0.380 _refine_diff_density_rms 0.072