Synthesis of Heterobimetallic Group 13 Compounds via Oxidative Addition Reaction of Gallanediyl LGa and InEt3
Ganesamoorthy, Chelladurai; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan; Organometallics 34 (2015) 2991–; doi:10.1021/acs.organomet.5b00302

data_4085873
_publ_contact_author
;
          Prof. Dr. Schulz, Stephan
          Fachbereich Chemie der
          Universit\"at Duisburg-Essen
          Campus Essen, Universit\"atsstr. 7
          D-45141 Essen, Germany
;
_publ_section_title
;
 Synthesis of Heterobimetallic Group 13 Compounds via Oxidative Addition
 Reaction of Gallanediyl LGa and InEt3
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2991
_journal_paper_doi               10.1021/acs.organomet.5b00302
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C64 H97 Ga2 In N4'
_chemical_formula_sum            'C64 H97 Ga2 In N4'
_chemical_formula_weight         1176.71
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 100.5370(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.3225(6)
_cell_length_b                   10.1219(3)
_cell_length_c                   27.9108(8)
_cell_measurement_reflns_used    26410
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      27.935
_cell_measurement_theta_min      2.216
_cell_volume                     6200.0(3)
_computing_cell_refinement       'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
_computing_data_collection       'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
_computing_data_reduction        'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
_computing_molecular_graphics    'BRUKER AXS Inc. 2008 Vers. 2008/4'
_computing_publication_material  'BRUKER AXS Inc. 2013 Vers. 2013/4'
_computing_structure_refinement  'BRUKER AXS Inc. 2013 Vers. 2013/4'
_computing_structure_solution    'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type
; 
 Bruker D8 KAPPA series II with APEX II area detector system
;
_diffrn_measurement_method
;
 Data collection strategy APEX 2/COSMO
;
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0515
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            88991
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.040
_diffrn_reflns_theta_min         1.856
_diffrn_source                   'sealed X-RAY tube'
_exptl_absorpt_coefficient_mu    1.271
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.729
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
 BRUKER AXS SMART APEX 2 Vers. 3.0-2009
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_description       plate
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.332
_exptl_crystal_size_mid          0.278
_exptl_crystal_size_min          0.124
_refine_diff_density_max         2.133
_refine_diff_density_min         -1.043
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     663
_refine_ls_number_reflns         14814
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0214P)^2^+24.4688P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.1143
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10751
_reflns_number_total             14814
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00302_si_002.cif
_cod_data_source_block           cg_018m
_cod_depositor_comments
'Adding full bibliography for 4085873--4085875.cif.'
_cod_database_code               4085873
_shelx_estimated_absorpt_t_min   0.678
_shelx_estimated_absorpt_t_max   0.858
_shelxl_version_number           2013-4
_shelx_res_checksum              9507
_shelx_hkl_checksum              79812