Quadruple-CO3^2-^ bridged octanuclear dysprosium(III) compound showing single-molecule magnet behaviour
Haiquan Tian; Lang Zhao; Yun-Nan Guo; Yang Guo; Jinkui Tang; Zhiliang Liu; Chem.Commun. 48 (2012) 708–; doi:10.1039/c1cc15814g

data_7107176
_publ_section_title
;
 Quadruple-CO3^2-^ bridged octanuclear dysprosium(III) compound showing
 single-molecule magnet behaviour
;
_journal_name_full               Chem.Commun.
_journal_page_first              708
_journal_paper_doi               10.1039/c1cc15814g
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C118 H140 Dy8 N32 O56'
_chemical_formula_weight         4202.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 117.4650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.0303(14)
_cell_length_b                   18.2012(8)
_cell_length_c                   28.6372(13)
_cell_measurement_temperature    296(2)
_cell_volume                     14351.0(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0659
_diffrn_reflns_av_sigmaI/netI    0.0807
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            36111
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    4.211
_exptl_absorpt_correction_T_max  0.5346
_exptl_absorpt_correction_T_min  0.3851
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8192
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.351
_refine_diff_density_min         -2.100
_refine_diff_density_rms         0.347
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     963
_refine_ls_number_reflns         12751
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0775P)^2^+13.8018P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1562
_reflns_number_gt                8710
_reflns_number_total             12751
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc15814g.txt
_cod_data_source_block           tianhq018_0m
_cod_original_sg_symbol_H-M      c2/c
_cod_database_code               7107176