Synthesis and structure of Tri- and octaindium compounds
Linti, Gerald; Bühler, Martina; Monakhov, Kirill Yu.; Zessin, Thomas; Dalton Transactions  (2009) 8071–8078; doi:10.1039/b908450a

data_7002349
_publ_section_title
;
 Synthesis and structure of Tri- and octaindium compounds
;
_journal_issue                   38
_journal_name_full               'Dalton Transactions'
_journal_page_first              8071
_journal_page_last               8078
_journal_paper_doi               10.1039/b908450a
_journal_year                    2009
_chemical_formula_moiety         'C144 H120 In8 Si8 _ Li2 O10.5 C42 H84'
_chemical_formula_sum            'C186 H204 In8 Li2 O10.5 Si8'
_chemical_formula_weight         3764.65
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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                 100.52(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   66.057(8)
_cell_length_b                   17.775(2)
_cell_length_c                   38.004(6)
_cell_measurement_temperature    200(2)
_cell_volume                     43873(10)
_computing_cell_refinement       STOE
_computing_data_collection       STOE
_computing_data_reduction        'STOE XRED'
_computing_molecular_graphics    Diamond
_computing_publication_material  'SHELXTL 5.01'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.412
_diffrn_measured_fraction_theta_max 0.412
_diffrn_measurement_device_type  'STOE IPDS I'
_diffrn_measurement_method       'image plate, 2 circle goniometer'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1176
_diffrn_reflns_av_sigmaI/netI    0.0825
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -71
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            27009
_diffrn_reflns_theta_full        22.49
_diffrn_reflns_theta_max         22.49
_diffrn_reflns_theta_min         1.57
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.914
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             15312
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.953
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2301
_refine_ls_number_reflns         11798
_refine_ls_number_restraints     2911
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1392
_refine_ls_R_factor_gt           0.1124
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1372P)^2^+4810.1870P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2861
_refine_ls_wR_factor_ref         0.3108
_reflns_number_gt                8944
_reflns_number_total             11798
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b908450a.txt
_cod_data_source_block           m38_comp_8
_cod_original_cell_volume        43872(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C186 H204 In8 Li2 O10.50 Si8'
_cod_database_code               7002349