# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 1999 # CCDC Number: 186/1630 data_Co-bipy-phth #------------------------------------------------------------------------------ _audit_creation_date 'Fri Jul 9 10:42:43 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution ? _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' #------------------------------------------------------------------------------ _cell_length_a 8.156(5) _cell_length_b 8.1556 _cell_length_c 32.927(8) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2190(2) _cell_formula_units_Z 4 _cell_measurement_temperature 293.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 23.6 _cell_measurement_theta_max 24.9 #------------------------------------------------------------------------------ _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'I 41 2 2 ' _symmetry_Int_Tables_number 98 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' +x, +y, +z' ' -x, -y, +z' ' -x, -y, +z' ' -x,1/2+y,1/4-z' ' -x,1/2+y,1/4-z' ' +x,1/2-y,1/4-z' ' +x,1/2-y,1/4-z' ' +y, +x, -z' ' +y, +x, -z' ' -y, -x, -z' ' -y, -x, -z' ' -y,1/2+x,1/4+z' ' -y,1/2+x,1/4+z' ' +y,1/2-x,1/4+z' ' +y,1/2-x,1/4+z' #------------------------------------------------------------------------------ _exptl_crystal_description 'plate' _exptl_crystal_colour 'purple' _exptl_crystal_size_max 0.400 _exptl_crystal_size_mid 0.300 _exptl_crystal_size_min 0.150 _exptl_crystal_density_diffrn 1.654 _exptl_crystal_density_meas ? _chemical_formula_weight 545.37 _chemical_formula_analytical ? _chemical_formula_sum 'C26 H18 Co N2 O8 ' _chemical_formula_moiety 'C26 H18 Co N2 O8 ' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 1116.00 _exptl_absorpt_coefficient_mu 0.844 _exptl_absorpt_correction_type none #------------------------------------------------------------------------------ _diffrn_special_details none _diffrn_ambient_temperature 293.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type MoKalpha _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector ? _diffrn_measurement_device 'AFC7S' _diffrn_measurement_method 'omega/2-theta scans' _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% -1.26 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 1 1 -2 2 0 -2 1 1 4 _diffrn_reflns_number 1593 _reflns_number_total 628 _reflns_number_observed 566 _reflns_observed_criterion 3.00 _diffrn_reflns_av_R_equivalents 3.35 _diffrn_reflns_av_sigmaI/netI ? _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -1 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -1 _diffrn_reflns_limit_l_max 38 _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max 24.99 _diffrn_reflns_reduction_process ? _diffrn_orient_matrix_UB_11 0.12077 _diffrn_orient_matrix_UB_12 0.02091 _diffrn_orient_matrix_UB_13 -0.00088 _diffrn_orient_matrix_UB_21 -0.00218 _diffrn_orient_matrix_UB_22 -0.00823 _diffrn_orient_matrix_UB_23 -0.03030 _diffrn_orient_matrix_UB_31 -0.02110 _diffrn_orient_matrix_UB_32 0.12054 _diffrn_orient_matrix_UB_33 -0.00191 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 104 0.003 0.002 'International Tables' H 0 72 0.000 0.000 'International Tables' Co 0 4 0.349 0.972 'International Tables' N 0 8 0.006 0.003 'International Tables' O 0 32 0.011 0.006 'International Tables' #------------------------------------------------------------------------------ loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom Co(1) 0.5000 0.0000 0.2500 0.0160(1) Uij ? ? O(1) 0.6269(3) 0.1406(3) 0.29321(6) 0.0237(7) Uij ? ? O(2) 0.6927(4) -0.0320(3) 0.34174(7) 0.0372(9) Uij ? ? N(1) 0.3088(3) 0.1912 0.2500 0.0200(5) Uij ? ? C(1) 0.6756(4) 0.1120(4) 0.32855(10) 0.0223(9) Uij ? ? C(2) 0.7183(5) 0.2587(4) 0.35495(8) 0.0202(9) Uij ? ? C(3) 0.6890(6) 0.4090(5) 0.3367(1) 0.032(1) Uij ? ? C(4) 0.7193(7) 0.5564(5) 0.3552(1) 0.039(1) Uij ? ? C(5) 0.3412(5) 0.3461(5) 0.2394(1) 0.026(1) Uij ? ? C(6) 0.2244(4) 0.4701(4) 0.2389(1) 0.027(1) Uij ? ? C(7) 0.0653(4) 0.4347 0.2500 0.0213(6) Uij ? ? H(1) 0.652(4) 0.410(4) 0.307(1) 0.04(1) Uij ? ? H(2) 0.711(5) 0.650(4) 0.340(1) 0.04(1) Uij ? ? H(3) 0.434(4) 0.361(5) 0.2275(10) 0.05(1) Uij ? ? H(4) 0.251(4) 0.580(4) 0.2294(10) 0.03(1) Uij ? ? H(5) 0.7500 -0.0397 0.3750 0.0290 Uij ? ? loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Co(1) 0.0163(3) 0.0163 0.0153(4) 0.0012(5) 0.0000 0.0000 O(1) 0.030(2) 0.025(2) 0.016(1) 0.000(1) -0.004(1) 0.000(1) O(2) 0.066(2) 0.017(2) 0.028(1) 0.002(1) -0.020(1) -0.001(1) N(1) 0.018(1) 0.0182 0.024(2) 0.001(2) -0.0002 0.000(2) C(1) 0.023(2) 0.023(2) 0.021(2) 0.001(2) 0.001(2) -0.001(1) C(2) 0.023(2) 0.018(2) 0.020(1) 0.000(2) 0.001(2) 0.001(1) C(3) 0.050(3) 0.026(2) 0.021(2) 0.006(2) -0.009(2) 0.000(2) C(4) 0.067(4) 0.015(2) 0.035(2) 0.004(2) -0.009(2) 0.007(2) C(5) 0.019(2) 0.024(2) 0.034(2) -0.001(1) 0.006(2) 0.003(2) C(6) 0.022(2) 0.018(3) 0.040(2) 0.002(2) 0.005(2) 0.002(2) C(7) 0.019(2) 0.0192 0.025(2) 0.004(2) -0.0009 -0.001(2) #------------------------------------------------------------------------------ _refine_special_details ? _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method Zachariasen_type_2_Gaussian_isotropic _refine_ls_extinction_coef 11.44738 _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 566 _refine_ls_number_parameters 103 _refine_ls_number_restraints 0 _refine_ls_number_constraints ? _refine_ls_R_factor_all ? _refine_ls_R_factor_obs 0.0248 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_obs 0.0251 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_obs 1.948 _refine_ls_shift/esd_max 0.0397 _refine_ls_shift/esd_mean ? _refine_diff_density_min -0.17 _refine_diff_density_max 0.26 #------------------------------------------------------------------------------ _geom_special_details ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Co(1) O(1) 2.100(2) ? ? yes Co(1) O(1) 2.100(2) ? ? yes Co(1) O(1) 2.100(2) ? ? yes Co(1) O(1) 2.100(2) ? ? yes Co(1) N(1) 2.206(4) ? ? yes Co(1) N(1) 2.206(4) ? ? yes O(1) C(1) 1.251(4) ? ? yes O(2) C(1) 1.260(4) ? ? yes N(1) C(5) 1.337(4) ? ? yes N(1) C(5) 1.337(4) ? ? yes C(1) C(2) 1.519(5) ? ? yes C(2) C(2) 1.418(6) ? ? yes C(2) C(3) 1.385(5) ? ? yes C(3) C(4) 1.370(5) ? ? yes C(4) C(4) 1.396(8) ? ? yes C(5) C(6) 1.389(6) ? ? yes C(6) C(7) 1.379(4) ? ? yes C(7) C(7) 1.505(9) ? ? yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(1) Co(1) O(1) 175.7(2) ? ? ? yes O(1) Co(1) O(1) 85.5(1) ? ? ? yes O(1) Co(1) O(1) 94.7(1) ? ? ? yes O(1) Co(1) N(1) 87.84(8) ? ? ? yes O(1) Co(1) N(1) 92.16(8) ? ? ? yes O(1) Co(1) O(1) 94.7(1) ? ? ? yes O(1) Co(1) O(1) 85.5(1) ? ? ? yes O(1) Co(1) N(1) 87.84(8) ? ? ? yes O(1) Co(1) N(1) 92.16(8) ? ? ? yes O(1) Co(1) O(1) 175.7(2) ? ? ? yes O(1) Co(1) N(1) 92.16(8) ? ? ? yes O(1) Co(1) N(1) 87.84(8) ? ? ? yes O(1) Co(1) N(1) 92.16(8) ? ? ? yes O(1) Co(1) N(1) 87.84(8) ? ? ? yes N(1) Co(1) N(1) 180.0 ? ? ? yes Co(1) O(1) C(1) 133.2(2) ? ? ? yes Co(1) N(1) C(5) 121.9(2) ? ? ? yes Co(1) N(1) C(5) 121.9(2) ? ? ? yes C(5) N(1) C(5) 116.3(5) ? ? ? yes O(1) C(1) O(2) 122.0(3) ? ? ? yes O(1) C(1) C(2) 117.3(3) ? ? ? yes O(2) C(1) C(2) 120.8(3) ? ? ? yes C(1) C(2) C(2) 128.0(2) ? ? ? yes C(1) C(2) C(3) 114.1(3) ? ? ? yes C(2) C(2) C(3) 117.8(2) ? ? ? yes C(2) C(3) C(4) 123.5(3) ? ? ? yes C(3) C(4) C(4) 118.7(2) ? ? ? yes N(1) C(5) C(6) 123.7(4) ? ? ? yes C(5) C(6) C(7) 119.3(3) ? ? ? yes C(6) C(7) C(6) 117.7(4) ? ? ? yes C(6) C(7) C(7) 121.2(2) ? ? ? yes C(6) C(7) C(7) 121.2(2) ? ? ? yes #------------------------------------------------------------------------------ #===END data_Co-bipy-mal #------------------------------------------------------------------------------ _audit_creation_date 'Fri Jul 9 09:25:58 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution ? _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' #------------------------------------------------------------------------------ _cell_length_a 7.095(5) _cell_length_b 18.735(4) _cell_length_c 7.394(5) _cell_angle_alpha 90 _cell_angle_beta 91.53(5) _cell_angle_gamma 90 _cell_volume 982.6(9) _cell_formula_units_Z 2 _cell_measurement_temperature 293.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 15.0 _cell_measurement_theta_max 20.0 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n ' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' '1/2-x,1/2+y,1/2-z' ' -x, -y, -z' '1/2+x,1/2-y,1/2+z' #------------------------------------------------------------------------------ _exptl_crystal_description 'plate' _exptl_crystal_colour 'purple' _exptl_crystal_size_max 0.300 _exptl_crystal_size_mid 0.250 _exptl_crystal_size_min 0.050 _exptl_crystal_density_diffrn 1.738 _exptl_crystal_density_meas ? _chemical_formula_weight 514.18 _chemical_formula_analytical ? _chemical_formula_sum 'C16 H16 Co2 N2 O10 ' _chemical_formula_moiety 'C16 H16 Co2 N2 O10 ' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 520.00 _exptl_absorpt_coefficient_mu 1.747 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details psi-scan _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.678 #------------------------------------------------------------------------------ _diffrn_special_details none _diffrn_ambient_temperature 293.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type MoKalpha _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector ? _diffrn_measurement_device 'AFC7S' _diffrn_measurement_method 'omega/2-theta scans' _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 0.14 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 1 -3 1 1 -1 1 1 0 1 _diffrn_reflns_number 1948 _reflns_number_total 1802 _reflns_number_observed 1113 _reflns_observed_criterion 3.00 _diffrn_reflns_av_R_equivalents 5.78 _diffrn_reflns_av_sigmaI/netI ? _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max 25.00 _diffrn_reflns_reduction_process ? _diffrn_orient_matrix_UB_11 0.06780 _diffrn_orient_matrix_UB_12 0.02403 _diffrn_orient_matrix_UB_13 0.10350 _diffrn_orient_matrix_UB_21 -0.07566 _diffrn_orient_matrix_UB_22 -0.02816 _diffrn_orient_matrix_UB_23 0.08712 _diffrn_orient_matrix_UB_31 0.09776 _diffrn_orient_matrix_UB_32 -0.03846 _diffrn_orient_matrix_UB_33 0.00087 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 32 0.003 0.002 'International Tables' H 0 32 0.000 0.000 'International Tables' N 0 4 0.006 0.003 'International Tables' O 0 20 0.011 0.006 'International Tables' Co 0 4 0.349 0.972 'International Tables' #------------------------------------------------------------------------------ loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom Co(1) 0.4188(2) 0.20752(8) 0.8997(2) 0.0336(4) Uij ? ? O(1) 0.582(1) 0.2641(4) 1.0888(9) 0.041(2) Uij ? ? O(2) 0.5767(10) 0.2603(4) 0.7047(8) 0.038(2) Uij ? ? O(3) 0.2158(9) 0.2918(4) 0.8974(8) 0.042(2) Uij ? ? O(4) 0.2891(10) 0.1541(4) 0.6800(8) 0.038(2) Uij ? ? O(5) 0.276(1) 0.1578(4) 1.1098(9) 0.039(2) Uij ? ? N(1) 0.626(1) 0.1230(5) 0.928(1) 0.040(3) Uij ? ? C(1) 0.671(2) 0.3215(6) 1.066(1) 0.035(3) Uij ? ? C(2) 0.638(1) 0.3619(5) 0.895(1) 0.038(3) Uij ? ? C(3) 0.666(2) 0.3189(6) 0.726(1) 0.038(3) Uij ? ? C(4) 0.765(2) 0.1182(10) 0.819(2) 0.126(8) Uij ? ? C(5) 0.913(2) 0.0702(9) 0.849(2) 0.129(8) Uij ? ? C(6) 0.921(2) 0.0264(6) 0.984(2) 0.040(3) Uij ? ? C(7) 0.778(2) 0.0295(8) 1.094(2) 0.099(6) Uij ? ? C(8) 0.630(2) 0.0781(8) 1.060(2) 0.090(6) Uij ? ? H(1) 0.5118 0.3790 0.8925 0.0454 Uij ? ? H(2) 0.7225 0.4012 0.8938 0.0454 Uij ? ? H(3) 0.7674 0.1483 0.7157 0.1510 Uij ? ? H(4) 1.0137 0.0700 0.7668 0.1542 Uij ? ? H(5) 0.7745 -0.0009 1.1970 0.1190 Uij ? ? H(6) 0.5261 0.0777 1.1381 0.1080 Uij ? ? H(7) 0.1457 0.2899 1.0048 0.0502 Uij ? ? H(8) 0.1330 0.2866 0.7952 0.0502 Uij ? ? loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Co(1) 0.0323(8) 0.0316(8) 0.0361(7) 0.0024(9) -0.0128(6) -0.0006(8) O(1) 0.041(5) 0.040(4) 0.042(4) -0.004(5) -0.012(4) -0.001(4) O(2) 0.047(5) 0.033(4) 0.032(4) -0.004(4) -0.011(3) 0.001(3) O(3) 0.040(5) 0.057(5) 0.029(3) 0.006(5) -0.009(3) -0.003(4) O(4) 0.038(5) 0.039(5) 0.036(4) 0.002(4) -0.014(4) 0.002(3) O(5) 0.044(5) 0.035(4) 0.039(4) 0.009(4) -0.003(4) -0.002(4) N(1) 0.035(6) 0.033(5) 0.051(6) 0.004(5) -0.016(5) 0.004(5) C(1) 0.040(8) 0.035(7) 0.029(6) 0.016(6) -0.002(5) -0.003(5) C(2) 0.033(7) 0.036(7) 0.045(6) 0.002(5) -0.012(5) -0.003(5) C(3) 0.038(8) 0.032(7) 0.042(6) 0.008(6) -0.012(6) 0.006(5) C(4) 0.06(1) 0.15(2) 0.18(2) 0.06(1) 0.06(1) 0.13(1) C(5) 0.042(10) 0.13(2) 0.21(2) 0.05(1) 0.06(1) 0.13(1) C(6) 0.032(7) 0.025(6) 0.063(7) 0.006(6) -0.007(6) 0.006(6) C(7) 0.12(1) 0.10(1) 0.08(1) 0.09(1) 0.024(10) 0.042(10) C(8) 0.09(1) 0.09(1) 0.09(1) 0.07(1) 0.043(10) 0.039(9) #------------------------------------------------------------------------------ _refine_special_details ? _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 1113 _refine_ls_number_parameters 136 _refine_ls_number_restraints 0 _refine_ls_number_constraints ? _refine_ls_R_factor_all ? _refine_ls_R_factor_obs 0.0699 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_obs 0.0640 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_obs 3.513 _refine_ls_shift/esd_max 0.0290 _refine_ls_shift/esd_mean ? _refine_diff_density_min -0.73 _refine_diff_density_max 0.84 #------------------------------------------------------------------------------ _geom_special_details ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Co(1) O(1) 2.080(7) ? ? yes Co(1) O(2) 2.098(7) ? ? yes Co(1) O(3) 2.138(7) ? ? yes Co(1) O(4) 2.100(6) ? ? yes Co(1) O(5) 2.096(7) ? ? yes Co(1) N(1) 2.169(9) ? ? yes O(1) C(1) 1.26(1) ? ? yes O(2) C(3) 1.27(1) ? ? yes O(4) C(1) 1.26(1) ? ? yes O(5) C(3) 1.25(1) ? ? yes N(1) C(4) 1.29(2) ? ? yes N(1) C(8) 1.29(1) ? ? yes C(1) C(2) 1.49(1) ? ? yes C(2) C(3) 1.50(1) ? ? yes C(4) C(5) 1.40(2) ? ? yes C(5) C(6) 1.29(2) ? ? yes C(6) C(6) 1.51(2) ? ? yes C(6) C(7) 1.32(2) ? ? yes C(7) C(8) 1.41(2) ? ? yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(1) Co(1) O(2) 85.7(3) ? ? ? yes O(1) Co(1) O(3) 89.5(3) ? ? ? yes O(1) Co(1) O(4) 170.8(3) ? ? ? yes O(1) Co(1) O(5) 90.0(3) ? ? ? yes O(1) Co(1) N(1) 86.8(3) ? ? ? yes O(2) Co(1) O(3) 91.0(3) ? ? ? yes O(2) Co(1) O(4) 85.6(3) ? ? ? yes O(2) Co(1) O(5) 175.6(3) ? ? ? yes O(2) Co(1) N(1) 92.1(3) ? ? ? yes O(3) Co(1) O(4) 93.7(3) ? ? ? yes O(3) Co(1) O(5) 89.7(3) ? ? ? yes O(3) Co(1) N(1) 175.0(3) ? ? ? yes O(4) Co(1) O(5) 98.7(3) ? ? ? yes O(4) Co(1) N(1) 90.5(3) ? ? ? yes O(5) Co(1) N(1) 86.8(3) ? ? ? yes Co(1) O(1) C(1) 127.9(7) ? ? ? yes Co(1) O(2) C(3) 126.5(7) ? ? ? yes Co(1) O(4) C(1) 128.0(7) ? ? ? yes Co(1) O(5) C(3) 132.3(7) ? ? ? yes Co(1) N(1) C(4) 121.2(9) ? ? ? yes Co(1) N(1) C(8) 123.3(9) ? ? ? yes C(4) N(1) C(8) 115(1) ? ? ? yes O(1) C(1) O(4) 123.0(10) ? ? ? yes O(1) C(1) C(2) 118.7(10) ? ? ? yes O(4) C(1) C(2) 118(1) ? ? ? yes C(1) C(2) C(3) 114.3(9) ? ? ? yes O(2) C(3) O(5) 122(1) ? ? ? yes O(2) C(3) C(2) 119(1) ? ? ? yes O(5) C(3) C(2) 118(1) ? ? ? yes N(1) C(4) C(5) 121(1) ? ? ? yes C(4) C(5) C(6) 123(1) ? ? ? yes C(5) C(6) C(6) 123(1) ? ? ? yes C(5) C(6) C(7) 115(1) ? ? ? yes C(6) C(6) C(7) 120(1) ? ? ? yes C(6) C(7) C(8) 119(1) ? ? ? yes N(1) C(8) C(7) 124(1) ? ? ? yes #------------------------------------------------------------------------------ _publ_requested_journal ' Dalton' _publ_contact_author ; Dr P. Lightfoot School of Chemistry University of St Andrews St Andrews Fife KY16 9ST ; _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_coeditor_name ? _publ_contact_author_phone ' 01334 463841 ' _publ_contact_author_fax ' 01334 463808 ' _publ_contact_author_email ' pl@st-and.ac.uk ' loop_ _publ_author_name _publ_author_address ' FIRST AUTHORS NAME ' ; FIRST AUTHORS ADDRESS ; _publ_section_title ; ENTER SECTION TITLE ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ;