Unusual inorganic ring systems of scandium and yttrium containing group 13 Metals: coordination of monomeric Me(2)InOMe to yttrium.
Giessmann, Stephan; Blaurock, Steffen; Lorenz, Volker; Edelmann, Frank T.; Inorganic chemistry 46 (2007) 10956–10958; doi:10.1021/ic701909m

data_4339118
_publ_section_title
;
 Unusual inorganic ring systems of scandium and yttrium containing group
 13 Metals: coordination of monomeric Me(2)InOMe to yttrium.
;
_journal_issue                   26
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10956
_journal_page_last               10958
_journal_paper_doi               10.1021/ic701909m
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C70 H86 Al Cl Li O11 Sc Si4'
_chemical_formula_weight         1330.08
_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                 117.09(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.680(6)
_cell_length_b                   22.212(4)
_cell_length_c                   25.817(5)
_cell_measurement_reflns_used    2367
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      29.30
_cell_measurement_theta_min      2.04
_cell_volume                     14642(6)
_computing_cell_refinement       'Stoe XAREA'
_computing_data_collection       'Stoe XAREA'
_computing_data_reduction        'Stoe XAREA'
_computing_molecular_graphics    'Bruker SHEXTL PLUS'
_computing_publication_material  'Bruker SHEXTL PLUS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_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  0.1505
_diffrn_reflns_av_sigmaI/netI    0.2822
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            62950
_diffrn_reflns_theta_full        29.30
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.269
_exptl_absorpt_correction_T_max  0.9481
_exptl_absorpt_correction_T_min  0.9000
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   'XRED32 (Stoe, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5632
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.583
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.725
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         19787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.725
_refine_ls_R_factor_all          0.1652
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          3.908
_refine_ls_shift/su_mean         0.100
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0717P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1460
_refine_ls_wR_factor_ref         0.1719
_reflns_number_gt                6653
_reflns_number_total             19787
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701909m-file003.cif
_cod_data_source_block           ip2_200
_cod_original_cell_volume        14643(5)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4339118