Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and rod-like N-donor ligands: Syntheses, structures and properties
Guo-Ping Yang; Rui-Ting Liu; Chen Ren; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Inorganica Chimica Acta 393 (2012) 58–64; doi:

data_1512690
_publ_section_title
;
 Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and
 rod-like N-donor ligands: Syntheses, structures and properties
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              58
_journal_page_last               64
_journal_volume                  393
_journal_year                    2012
_chemical_formula_moiety         'C68 H60 Co4 N6 O33 S2'
_chemical_formula_sum            'C68 H60 Co4 N6 O33 S2'
_chemical_formula_weight         1789.06
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                67.947(2)
_cell_angle_beta                 84.063(2)
_cell_angle_gamma                76.911(2)
_cell_formula_units_Z            1
_cell_length_a                   11.3454(18)
_cell_length_b                   13.476(2)
_cell_length_c                   13.524(2)
_cell_measurement_reflns_used    2136
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.522
_cell_measurement_theta_min      2.432
_cell_volume                     1866.2(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0765
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9102
_diffrn_reflns_theta_full        24.86
_diffrn_reflns_theta_max         24.86
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    1.024
_exptl_absorpt_correction_T_max  0.7555
_exptl_absorpt_correction_T_min  0.7221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             914
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         6328
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0792P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1407
_refine_ls_wR_factor_ref         0.1577
_reflns_number_gt                4464
_reflns_number_total             6328
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-58-64-4.cif
_cod_data_source_block           xb3803_0m
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512690