Polydentate-ligand-supported self-assembly of heterometallic T-shaped Co(4)RE (RE = Gd, Tb, Y) clusters: synthesis, structure and magnetism.
Ke, Hongshan; Zhao, Lang; Guo, Yang; Tang, Jinkui; Dalton transactions (Cambridge, England : 2003) 41 (2012) 9760–9765; doi:10.1039/c2dt30761h

data_7019840
_publ_section_title
;
 Polydentate-ligand-supported self-assembly of heterometallic T-shaped
 Co(4)RE (RE = Gd, Tb, Y) clusters: synthesis, structure and magnetism.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9760
_journal_page_last               9765
_journal_paper_doi               10.1039/c2dt30761h
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C74 H115 Co4 N6 O41.5 Tb'
_chemical_formula_weight         2147.36
_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                 110.597(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0993(5)
_cell_length_b                   28.4053(13)
_cell_length_c                   29.6185(11)
_cell_measurement_reflns_used    9859
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.11
_cell_measurement_theta_min      2.27
_cell_volume                     8741.2(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            48548
_diffrn_reflns_theta_full        26.11
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    1.640
_exptl_absorpt_correction_T_max  0.8275
_exptl_absorpt_correction_T_min  0.7351
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            black-red
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4424
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.742
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1179
_refine_ls_number_reflns         17364
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0605P)^2^+7.5433P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1181
_reflns_number_gt                13775
_reflns_number_total             17364
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30761h.txt
_cod_data_source_block           hske10100502_1_0m
_cod_original_cell_volume        8741.2(6)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C74 H115 Co4 N6 O41.50 Tb'
_cod_database_code               7019840