Cyanide-Bridged WV-CoII Double-Zigzag Chain Based on an Octacoordinated W Precursor: Metamagnetism and Spin Canting
Jung Hee Yoon; Jeong Hak Lim; Seok Woo Choi; Hyoung Chan Kim; Chang Seop Hong; Inorganic Chemistry 46 (2007) 1529–1531; doi:10.1021/ic062143d

data_4307659
_publ_section_title
;
Cyanide-Bridged WV-CoII Double-Zigzag Chain Based on an Octacoordinated W
Precursor: Metamagnetism and Spin Canting
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1529
_journal_page_last               1531
_journal_paper_doi               10.1021/ic062143d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C16 H14 Co0.5 N8 O3 W'
_chemical_formula_weight         579.67
_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                99.5090(10)
_cell_angle_beta                 100.8330(10)
_cell_angle_gamma                107.0080(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3504(6)
_cell_length_b                   10.5157(8)
_cell_length_c                   11.8710(9)
_cell_measurement_temperature    130
_cell_volume                     951.76(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 0.904
_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  0.0141
_diffrn_reflns_av_sigmaI/netI    0.0164
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9999
_diffrn_reflns_theta_full        27.39
_diffrn_reflns_theta_max         27.39
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    6.525
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.023
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             555
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.074
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         3905
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0146
_refine_ls_R_factor_gt           0.0140
_refine_ls_shift/su_max          0.057
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0089P)^2^+1.2718P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0315
_refine_ls_wR_factor_ref         0.0317
_reflns_number_gt                3813
_reflns_number_total             3905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062143dsi20061110_091544.cif
_cod_data_source_block           p-1
_cod_original_formula_sum        'C16 H14 Co0.50 N8 O3 W'
_cod_database_code               4307659