Synthesis and structural characterisation of a soluble, metastable indium(I) halide complex, [InBr(tmeda)].
Green, Shaun P; Jones, Cameron; Stasch, Andreas; Chemical communications (Cambridge, England)  (2008) 6285–6287; doi:10.1039/b814658f

data_7103595
_publ_section_title
;
 Synthesis and structural characterisation of a soluble, metastable
 indium(I) halide complex, [InBr(tmeda)].
;
_journal_issue                   47
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6285
_journal_page_last               6287
_journal_paper_doi               10.1039/b814658f
_journal_year                    2008
_chemical_formula_sum            'C49 H92 Cl8 In5 N7'
_chemical_formula_weight         1637.00
_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                90.38(3)
_cell_angle_beta                 97.84(3)
_cell_angle_gamma                103.65(3)
_cell_formula_units_Z            2
_cell_length_a                   12.079(2)
_cell_length_b                   21.690(4)
_cell_length_c                   12.363(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3115.5(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0738
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20134
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    2.204
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         5.152
_refine_diff_density_min         -1.428
_refine_diff_density_rms         0.349
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         10832
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1388
_refine_ls_R_factor_gt           0.1097
_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^)+(0.0598P)^2^+326.8534P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2923
_refine_ls_wR_factor_ref         0.3065
_reflns_number_gt                8006
_reflns_number_total             10832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b814658f.txt
_cod_data_source_block           '[(quin)2)H][In5Cl8(quin)5]'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103595