μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>-bis[trichloridogallium(III)]
Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian; Acta Crystallographica Section E 63 (2007) m1761–m1761; doi:10.1107/S1600536807024592

data_2213995
_publ_section_title
\m-1,2-Bis(diphenylphosphino)ethane-\k^2^<i>P</i>:<i>P</i>-bis[trichloridogallium(III)]
_journal_coeditor_code           WN2145
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1761
_journal_page_last               m1761
_journal_paper_doi               10.1107/S1600536807024592
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[(Ga Cl3)2 (C26 H24 P2)]'
_chemical_formula_moiety         'C26 H24 Cl6 Ga2 P2'
_chemical_formula_sum            'C26 H24 Cl6 Ga2 P2'
_chemical_formula_weight         750.53
_chemical_name_systematic
;
\m-1,2-Bis(diphenylphosphino)ethane-bis[trichloridogallium(III)]
;
_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 + hand edit'
_cell_angle_alpha                66.137(8)
_cell_angle_beta                 77.057(10)
_cell_angle_gamma                65.540(10)
_cell_formula_units_Z            1
_cell_length_a                   8.3586(10)
_cell_length_b                   9.457(2)
_cell_length_c                   11.644(2)
_cell_measurement_reflns_used    3379
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     764.4(2)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
;
COLLECT (Nonius, 1998) and DENZO (Otwinowski & Minor, 1997)
;
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'ORTEPIII (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15738
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.19
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.407
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             374
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.559
_refine_diff_density_min         -0.636
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         3469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0287P)^2^+0.6686P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0730
_reflns_number_gt                2672
_reflns_number_total             3469
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wn2145.cif
_cod_data_source_block           I
_cod_database_code               2213995
_cod_database_fobs_code          2213995