Structural diversity in gallium(III) complexes of the tripodal triarsine MeC(CH2AsMe2)3.
Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian; Dalton transactions (Cambridge, England : 2003)  (2007) 2207–2210; doi:10.1039/b702791e

data_7005513
_publ_section_title
;
 Structural diversity in gallium(III) complexes of the tripodal
 triarsine MeC(CH2AsMe2)3.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2207
_journal_page_last               2210
_journal_paper_doi               10.1039/b702791e
_journal_year                    2007
_chemical_formula_moiety         'C11 H27 As3 Cl1.75 Ga1 I0.25 1+, Cl4 Ga1 1-'
_chemical_formula_sum            'C11 H27 As3 Cl5.75 Ga2 I0.25'
_chemical_formula_weight         759.09
_chemical_name_common
;
Dichloro(1,1,1-tris(dimethylarsinomethyl)ethane)gallium(iii)
tetrachlorogallate(iii)
;
_chemical_name_systematic
;
Dichloro(1,1,1-tris(dimethylarsinomethyl)ethane)gallium(III)
tetrachlorogallate(III)
;
_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
_audit_creation_date             2007-03-23
_audit_creation_method           'SHELXL-97 + hand edit'
_audit_update_record
; 2007-03-23 Small amount of I found in ligand & complex.
Re-ran refinement with I1 (close to Cl1).
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.952(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7853(15)
_cell_length_b                   15.267(3)
_cell_length_c                   17.119(3)
_cell_measurement_reflns_used    5758
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2510.9(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17722
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.95
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.983
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'G.M. Sheldrick, (2003). SADABS. Version 2.10. Bruker AXS Inc.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.008
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.308
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4396
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0546
_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^)+(0.0001P)^2^+22.2800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1116
_reflns_number_gt                3299
_reflns_number_total             4396
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b702791e.txt
_cod_data_source_block           07fc004
_cod_original_cell_volume        2510.9(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7005513