Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.
Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita; Inorganic chemistry 55 (2016) 10192–10202; doi:10.1021/acs.inorgchem.6b01402

data_4348591
_publ_section_title
;
 Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of
 Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> =
 Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>,
 Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule
 Magnets.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10192
_journal_page_last               10202
_journal_paper_doi               10.1021/acs.inorgchem.6b01402
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C61 H56 Co2 N7 Nd O23'
_chemical_formula_weight         1517.23
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                85.623(7)
_cell_angle_beta                 87.339(9)
_cell_angle_gamma                61.838(6)
_cell_formula_units_Z            2
_cell_length_a                   12.800(7)
_cell_length_b                   13.248(7)
_cell_length_c                   22.097(12)
_cell_measurement_reflns_used    15264
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      0.9
_cell_volume                     3294(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.881
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi 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  0.0550
_diffrn_reflns_av_sigmaI/netI    0.1175
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15264
_diffrn_reflns_theta_full        25.21
_diffrn_reflns_theta_max         25.21
_diffrn_reflns_theta_min         0.92
_exptl_absorpt_coefficient_mu    1.356
_exptl_absorpt_correction_T_max  0.722
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1538
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.302
_refine_diff_density_min         -1.295
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       0.0021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.869
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     864
_refine_ls_number_reflns         10462
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.869
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_gt           0.0694
_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^)+(0.1604P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1942
_refine_ls_wR_factor_ref         0.2312
_reflns_number_gt                6345
_reflns_number_total             11876
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b01402_si_004.cif
_cod_data_source_block           Complex_2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4348591