Original Transition Metal→Indium Interactions upon Coordination of a Triphosphine−Indane
Derrah, Eric J.; Sircoglou, Marie; Mercy, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Miqueu, Karinne; Maron, Laurent; Bourissou, Didier; Organometallics 30 (2011) 657–; doi:10.1021/om1011769

data_4064203
_publ_section_title
;
 Original Transition Metal\\rightarrow Indium Interactions upon
 Coordination of a Triphosphine&#x2212;Indane
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              657
_journal_paper_doi               10.1021/om1011769
_journal_volume                  30
_journal_year                    2011
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C36 H54 Au Cl In P3'
_chemical_formula_sum            'C36 H54 Au Cl In P3'
_chemical_formula_weight         926.94
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 104.235(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0580(4)
_cell_length_b                   18.9137(8)
_cell_length_c                   20.4516(8)
_cell_measurement_reflns_used    1537
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      18.48
_cell_measurement_theta_min      2.15
_cell_measurement_wavelength     0.71073
_cell_volume                     3771.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.22
_diffrn_reflns_av_unetI/netI     0.1365
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            48137
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         5.17
_exptl_absorpt_coefficient_mu    4.719
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.745572
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.973
_refine_diff_density_min         -1.205
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         6359
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.1286
_refine_ls_R_factor_gt           0.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0301P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.1013
_reflns_number_gt                3652
_reflns_number_total             6359
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1011769_si_002.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4064203