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_7002347
_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 H130 In8 Si8 _ 3 C7 H8'
_chemical_formula_sum            'C165 H144 In8 Si8'
_chemical_formula_weight         3270.08
_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                79.021(17)
_cell_angle_beta                 85.710(17)
_cell_angle_gamma                63.590(16)
_cell_formula_units_Z            2
_cell_length_a                   16.251(3)
_cell_length_b                   16.756(3)
_cell_length_c                   30.599(4)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      22.0
_cell_measurement_theta_min      1.5
_cell_volume                     7326(2)
_computing_cell_refinement       'STOE XCELL'
_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 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'STOE IPDS I'
_diffrn_measurement_method       'image plate'
_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  0.2359
_diffrn_reflns_av_sigmaI/netI    0.4069
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            38433
_diffrn_reflns_theta_full        22.34
_diffrn_reflns_theta_max         22.34
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.352
_exptl_absorpt_correction_T_max  0.9122
_exptl_absorpt_correction_T_min  0.7920
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3276
_exptl_crystal_size_max          0.178
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.058
_refine_diff_density_max         1.035
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.627
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         17693
_refine_ls_number_restraints     1373
_refine_ls_restrained_S_all      0.607
_refine_ls_R_factor_all          0.2018
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                5604
_reflns_number_total             17693
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b908450a.txt
_cod_data_source_block           mah191_comp_6_CCDC_728994
_cod_original_cell_volume        7325(2)
_cod_database_code               7002347