Slow magnetic relaxation in a 3D network of cobalt(ii) citrate cubanes
Galloway, Kyle W.; Schmidtmann, Marc; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Wernsdorfer, Wolfgang; Murrie, Mark; Dalton Transactions 39 (2010) 4727–; doi:10.1039/b924803j

data_7025066
_publ_section_title
;
 Slow magnetic relaxation in a 3D network of cobalt(ii) citrate cubanes
;
_journal_issue                   20
_journal_name_full               'Dalton Transactions'
_journal_page_first              4727
_journal_paper_doi               10.1039/b924803j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C24 H64 Co6 Na4 O52'
_chemical_formula_weight         1630.29
_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
_cell_angle_alpha                78.180(16)
_cell_angle_beta                 84.625(16)
_cell_angle_gamma                89.511(17)
_cell_formula_units_Z            2
_cell_length_a                   12.260(5)
_cell_length_b                   12.366(6)
_cell_length_c                   19.101(9)
_cell_measurement_reflns_used    17286
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.02
_cell_volume                     2822(2)
_computing_cell_refinement       'fsprocess (Higashi, 2001)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'fsprocess (Higashi, 2001)'
_computing_molecular_graphics    'Diamond V3.1f (Crystal Impact, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Rigaku R-Axis Rapid IP area detector'
_diffrn_measurement_method       '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  0.1398
_diffrn_reflns_av_sigmaI/netI    0.1888
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30475
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.880
_exptl_absorpt_correction_T_max  0.6507
_exptl_absorpt_correction_T_min  0.4532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'fsprocess (Higashi, 2001)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.168
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         12280
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.181
_refine_ls_R_factor_all          0.1800
_refine_ls_R_factor_gt           0.1185
_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^)+(0.1000P)^2^+25.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2866
_refine_ls_wR_factor_ref         0.3311
_reflns_number_gt                6848
_reflns_number_total             12280
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b924803j.txt
_cod_data_source_block           sx087
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025066