Metal-Dependent Assembly of a Helical-[Co3L3] Cluster versus a Meso-[Cu2L2] Cluster with O,N,N',O'-Schiff Base Ligand: Structures and Magnetic Properties
Yuanyuan Pang; Shuxin Cui; Bo Li; Jingping Zhang; Yu Wang; Hong Zhang; Inorganic Chemistry 47 (2008) 10317–10324; doi:10.1021/ic800856m

data_4305939
_publ_section_title
;
Metal-Dependent Assembly of a Helical-[Co3L3] Cluster versus a Meso-[Cu2L2]
Cluster with O,N,N',O'-Schiff Base Ligand: Structures and Magnetic
Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10317
_journal_page_last               10324
_journal_paper_doi               10.1021/ic800856m
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C61 H51 Cl4 Co3 N9 O8'
_chemical_formula_weight         1356.70
_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                88.823(3)
_cell_angle_beta                 76.249(3)
_cell_angle_gamma                72.619(3)
_cell_formula_units_Z            2
_cell_length_a                   12.955(2)
_cell_length_b                   14.489(3)
_cell_length_c                   16.570(3)
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.70
_cell_volume                     2878.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0459
_diffrn_reflns_av_sigmaI/netI    0.1145
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14890
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.105
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1386
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.472
_refine_diff_density_min         -1.504
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     770
_refine_ls_number_reflns         9997
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.1569
_refine_ls_R_factor_gt           0.0929
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1369P)^2^+16.4493P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2270
_refine_ls_wR_factor_ref         0.2726
_reflns_number_gt                5809
_reflns_number_total             9997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800856m_si_001_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2878.8(9)
_cod_database_code               4305939