One-Dimensional Octacyanomolybdate-Based Cu(II)-Mo(V) Bimetallic Assembly with a Novel Rope-Ladder Chain Structure
Young Sin You; Dohyeon Kim; Youngkyu Do; Sang Jun Oh; Chang Seop Hong; Inorganic Chemistry 43 (2004) 6899–6901; doi:10.1021/ic048856i

data_4311870
_publ_section_title
;
 One-Dimensional Octacyanomolybdate-Based Cu(II)-Mo(V) Bimetallic Assembly
 with a Novel Rope-Ladder Chain Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6899
_journal_page_last               6901
_journal_paper_doi               10.1021/ic048856i
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C23 H41 Cu1.5 Mo N14 O2.5'
_chemical_formula_weight         744.95
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_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                78.32(4)
_cell_angle_beta                 83.15(3)
_cell_angle_gamma                69.71(3)
_cell_formula_units_Z            2
_cell_length_a                   8.904(3)
_cell_length_b                   10.056(4)
_cell_length_c                   19.464(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1598.5(12)
_computing_structure_refinement  WinGX
_computing_structure_solution    WinGX
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            18379
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    1.428
_exptl_crystal_colour            pink-brown
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             765
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         7212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0420
_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^)+(0.0560P)^2^+1.5499P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                5813
_reflns_number_total             7212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048856isi20040818_101209.cif
_cod_data_source_block           complex1
_cod_original_formula_sum        'C23 H41 Cu1.50 Mo N14 O2.50'
_cod_database_code               4311870