Bis(μ-diethylphosphido-κ^2^<i>P</i>:<i>P</i>)bis[bis(2,4,6-trimethylphenyl)indium(III)]
Briand, Glen G.; Decken, Andreas; Knackstedt, Dane A.; Martin, Caleb D.; Acta Crystallographica Section E 67 (2011) m1578–; doi:10.1107/S1600536811042668

data_2232240
_publ_section_title
;
 Bis(\m-diethylphosphido-\k^2^<i>P</i>:<i>P</i>)bis[bis(2,4,6-trimethylphenyl)indium(III)]
;
_journal_coeditor_code           FJ2456
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1578
_journal_paper_doi               10.1107/S1600536811042668
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[In2 (C9 H11)4 (C4 H10 P)2]'
_chemical_formula_moiety         'C44 H64 In2 P2'
_chemical_formula_sum            'C44 H64 In2 P2'
_chemical_formula_weight         884.53
_chemical_name_systematic
;
Bis(\m-diethylphosphido-\k^2^<i>P</i>:<i>P</i>)bis[bis(2,4,6-
trimethylphenyl)indium(III)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.618(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.323(4)
_cell_length_b                   15.494(4)
_cell_length_c                   14.331(3)
_cell_measurement_reflns_used    6933
_cell_measurement_temperature    198.0(10)
_cell_measurement_theta_max      28.1275
_cell_measurement_theta_min      2.7125
_cell_volume                     4265.6(16)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2011)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008<i>b</i>)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008<i>b</i>)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008<i>b</i>)'
_diffrn_ambient_temperature      198.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART1000/P4'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14538
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.184
_exptl_absorpt_correction_T_max  0.9883
_exptl_absorpt_correction_T_min  0.7765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008<i>a</i>)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.646
_refine_diff_density_min         -0.339
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         4771
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0309
_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^)+(0.0318P)^2^+1.4614P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0778
_reflns_number_gt                3470
_reflns_number_total             4771
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fj2456.cif
_cod_data_source_block           I
_cod_original_cell_volume        4265.6(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2232240
_cod_database_fobs_code          2232240