Tuning the Structure and Magnetism of Heterometallic Sodium(1+)-Cobalt(2+) Formate Coordination Polymers by Varying the Metal Ratio and Solvents
Jiong-Peng Zhao; Song-De Han; Ran Zhao; Qian Yang; Ze Chang; Xian-He Bu; Inorganic Chemistry 52 (2013) 2862–2869; doi:10.1021/ic301936k

data_4334096
_publ_section_title
;
 Tuning the Structure and Magnetism of Heterometallic
 Sodium(1+)-Cobalt(2+) Formate Coordination Polymers by Varying the Metal
 Ratio and Solvents
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2862
_journal_page_last               2869
_journal_paper_doi               10.1021/ic301936k
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C16 H16 Co7 N0 Na2 O32'
_chemical_formula_weight         1178.78
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.27(3)
_cell_angle_beta                 95.85(3)
_cell_angle_gamma                100.93(3)
_cell_formula_units_Z            1
_cell_length_a                   8.2693(17)
_cell_length_b                   8.4170(17)
_cell_length_c                   12.645(3)
_cell_measurement_temperature    293(2)
_cell_volume                     859.4(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_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  0.1265
_diffrn_reflns_av_sigmaI/netI    0.1654
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7163
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    3.437
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.278
_exptl_crystal_F_000             579
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.880
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         2988
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.1362
_refine_ls_R_factor_gt           0.0842
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0285P)^2^+0.2215P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1666
_reflns_number_gt                2029
_reflns_number_total             2988
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301936k_si_002_3.cif
_cod_data_source_block           3
_cod_database_code               4334096