Synthesis and characterisation of the first carbene and diazabutadiene‒indium(ii) complexesElectronic supplementary information (ESI) available: synthetic details. See http://www.rsc.org/suppdata/cc/b2/b202532a/
Baker, Robert J.; Farley, Robert D.; Jones, Cameron; Kloth, Marc; Murphy, Damien M.; Chemical Communications  (2002) 1196–; doi:10.1039/b202532a

data_7114372
_publ_section_title
;
 Synthesis and characterisation of the first carbene and
 diazabutadiene--indium(ii) complexesElectronic supplementary information
 (ESI) available: synthetic details. See
 http://www.rsc.org/suppdata/cc/b2/b202532a/
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              1196
_journal_paper_doi               10.1039/b202532a
_journal_year                    2002
_chemical_formula_sum            'C78 H108 Cl2 In2 N6'
_chemical_formula_weight         1430.24
_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                69.33(3)
_cell_angle_beta                 64.94(3)
_cell_angle_gamma                77.37(3)
_cell_formula_units_Z            1
_cell_length_a                   12.301(3)
_cell_length_b                   13.135(3)
_cell_length_c                   13.761(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1878.2(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33112
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   'sortav (Blessing 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             750
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.687
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         8542
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0408
_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^)+(0.0255P)^2^+3.2301P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0931
_reflns_number_gt                7348
_reflns_number_total             8542
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202532a.txt
_cod_data_source_block           cmpd6.CIF
_cod_original_cell_volume        1878.2(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114372