Lanthanide hydroxide cubane clusters anchoring ferrocenes: model compounds for fixation of organometallic fragments on a lanthanide oxide surface.
Baskar, Viswanathan; Roesky, Peter W.; Dalton transactions (Cambridge, England : 2003)  (2006) 676–679; doi:10.1039/b513469b

data_7006739
_publ_section_title
;
 Lanthanide hydroxide cubane clusters anchoring ferrocenes: model
 compounds for fixation of organometallic fragments on a lanthanide
 oxide surface.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              676
_journal_page_last               679
_journal_paper_doi               10.1039/b513469b
_journal_year                    2006
_chemical_formula_sum            'C180 H156 Fe8 O20 Yb4'
_chemical_formula_weight         3778.01
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                81.869(2)
_cell_angle_beta                 81.715(2)
_cell_angle_gamma                79.174(2)
_cell_formula_units_Z            2
_cell_length_a                   16.6190(4)
_cell_length_b                   19.8010(5)
_cell_length_c                   25.4550(6)
_cell_measurement_temperature    173(2)
_cell_volume                     8085.0(3)
_computing_molecular_graphics    'Diamond 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'area detector'
_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  0.1029
_diffrn_reflns_av_sigmaI/netI    0.1002
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            45556
_diffrn_reflns_theta_full        23.50
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    3.046
_exptl_absorpt_correction_T_max  0.7959
_exptl_absorpt_correction_T_min  0.5730
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3768
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.577
_refine_diff_density_min         -1.942
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1298
_refine_ls_number_reflns         23395
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1208
_refine_ls_R_factor_gt           0.0829
_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^)+(0.1535P)^2^+14.3434P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2231
_refine_ls_wR_factor_ref         0.2546
_reflns_number_gt                15749
_reflns_number_total             23395
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b513469b.txt
_cod_data_source_block           1
_cod_database_code               7006739