Two novel Dy(8) and Dy(11) clusters with cubane [Dy(4)(μ(3)-OH)(4)](8+) units exhibiting slow magnetic relaxation behaviour.
Miao, Yan-Li; Liu, Jun-Liang; Li, Jin-Yan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang; Dalton transactions (Cambridge, England : 2003) 40 (2011) 10229–10236; doi:10.1039/c1dt10613a

data_7016704
_publ_section_title
;
 Two novel Dy(8) and Dy(11) clusters with cubane
 [Dy(4)(\m(3)-OH)(4)](8+) units exhibiting slow magnetic relaxation
 behaviour.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10229
_journal_page_last               10236
_journal_paper_doi               10.1039/c1dt10613a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C102 H182 Cl2 Dy8 N24 O66'
_chemical_formula_weight         4171.62
_chemical_name_common            1.18H2O.18MeOH
_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                 103.820(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.5071(10)
_cell_length_b                   27.3584(8)
_cell_length_c                   19.4323(6)
_cell_measurement_temperature    150(2)
_cell_volume                     15232.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_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  0.0612
_diffrn_reflns_av_sigmaI/netI    0.1386
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18614
_diffrn_reflns_theta_full        24.15
_diffrn_reflns_theta_max         24.15
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    4.003
_exptl_absorpt_correction_T_max  0.7146
_exptl_absorpt_correction_T_min  0.4595
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8208
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_platon_squeeze_details
;
;
_refine_diff_density_max         3.589
_refine_diff_density_min         -0.982
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.829
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         11296
_refine_ls_number_restraints     163
_refine_ls_restrained_S_all      0.835
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0644
_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^)+(0.0888P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.1629
_reflns_number_gt                5973
_reflns_number_total             11296
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10613a.txt
_cod_data_source_block           complex1
_cod_original_cell_volume        15232.9(8)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7016704