Cyanide-Bridged WVMnIII Single-Chain Magnet with Isolated MnIII Moieties Exhibiting Two Types of Relaxation Dynamics
Jung Hee Yoon; Jin Wuk Lee; Dae Won Ryu; Sang Yup Choi; Sung Won Yoon; Byoung Jin Suh; Eui Kwan Koh; Hyoung Chan Kim; Chang Seop Hong; Inorganic Chemistry 50 (2011) 11306–11308; doi:10.1021/ic202100y

data_4326951
_publ_section_title
;
 Cyanide-Bridged WVMnIII Single-Chain Magnet with Isolated MnIII Moieties
 Exhibiting Two Types of Relaxation Dynamics
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11306
_journal_page_last               11308
_journal_paper_doi               10.1021/ic202100y
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C83 H68 Mn3 N14 O10 W'
_chemical_formula_weight         1770.18
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.431(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.4499(11)
_cell_length_b                   23.2599(13)
_cell_length_c                   21.4110(12)
_cell_measurement_reflns_used    7454
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.815
_cell_measurement_theta_min      2.248
_cell_volume                     9686.1(9)
_computing_cell_refinement       'Bruker SMART APEXll'
_computing_data_collection       'Bruker SMART APEXll'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_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  0.0834
_diffrn_reflns_av_sigmaI/netI    0.0794
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            160728
_diffrn_reflns_theta_full        29.47
_diffrn_reflns_theta_max         29.47
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    1.621
_exptl_absorpt_correction_T_max  0.8813
_exptl_absorpt_correction_T_min  0.6087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_description       block
_exptl_crystal_F_000             3572
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.08
_platon_squeeze_details          ' ?'
_refine_diff_density_max         1.682
_refine_diff_density_min         -1.172
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1030
_refine_ls_number_reflns         26639
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0592P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1191
_reflns_number_gt                17533
_reflns_number_total             26639
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202100y_si_002.cif
_cod_data_source_block           squeezed
_cod_database_code               4326951