Synthesis and Thermolysis of Alkyl- and Phenylamido Diphenylgallium, [Ph2GaN(H)R]2. Isolation and Structural Characterization of (PhGaNMe)7and (PhGaNPh)4
Bing Luo; Wayne L. Gladfelter; Inorganic Chemistry 41 (2002) 590–597; doi:10.1021/ic010877e

data_4317506
_publ_section_title
;
 Synthesis and Thermolysis of Alkyl- and Phenylamido Diphenylgallium,
 [Ph2GaN(H)R]2. Isolation and Structural Characterization of (PhGaNMe)7and
 (PhGaNPh)4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              590
_journal_page_last               597
_journal_paper_doi               10.1021/ic010877e
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        'Bing Luo'
_chemical_formula_sum            'C59.5 H68 Ga7 N7'
_chemical_formula_weight         1369.25
_chemical_name_common            00340/BL064
_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                105.1880(10)
_cell_angle_beta                 99.3070(10)
_cell_angle_gamma                100.3330(10)
_cell_formula_units_Z            2
_cell_length_a                   12.4038(7)
_cell_length_b                   13.3356(7)
_cell_length_c                   18.8316(10)
_cell_measurement_reflns_used    4851
_cell_measurement_temperature    173(2)
_cell_volume                     2885.1(3)
_computing_cell_refinement       'Saint, Bruker'
_computing_data_collection       'Smart, Bruker'
_computing_data_reduction        'Saint, Bruker'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Smart CCD, Siemens'
_diffrn_measurement_method       Omega-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21421
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    3.263
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6489
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1382
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.951
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         10122
_refine_ls_number_restraints     303
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+3.7043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0878
_reflns_number_gt                8055
_reflns_number_total             10122
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010877e_1.cif
_cod_data_source_block           Compound6,(PhGaNMe)7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C59.50 H68 Ga7 N7'
_cod_database_code               4317506