Cyanide-Bridged W(V)-Mn(II) Bimetallic Double-Zigzag Chains with a Metamagnetic Nature
Jung Hee Yoon; Hyoung Chan Kim; Chang Seop Hong; Inorganic Chemistry 44 (2005) 7714–7716; doi:10.1021/ic051415u

data_4309903
_publ_section_title
;
Cyanide-Bridged W(V)-Mn(II) Bimetallic Double-Zigzag Chains with a
Metamagnetic Nature
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7714
_journal_page_last               7716
_journal_paper_doi               10.1021/ic051415u
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C16 H14 Mn0.5 N8 O3 W'
_chemical_formula_weight         577.67
_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                99.290(4)
_cell_angle_beta                 100.791(4)
_cell_angle_gamma                107.102(4)
_cell_formula_units_Z            2
_cell_length_a                   8.4715(12)
_cell_length_b                   10.5250(15)
_cell_length_c                   11.9813(16)
_cell_measurement_temperature    293(2)
_cell_volume                     976.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_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  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12476
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    6.262
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             553
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.03
_refine_diff_density_max         5.932
_refine_diff_density_min         -2.594
_refine_diff_density_rms         0.350
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4525
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0634
_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^)+(0.0939P)^2^+23.1347P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1839
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                4221
_reflns_number_total             4525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051415usi20050819_022934.cif
_cod_data_source_block           complex1
_cod_original_formula_sum        'C16 H14 Mn0.50 N8 O3 W'
_cod_database_code               4309903