Telluroether and Selenoether Complexes as Single Source Reagents for Low Pressure Chemical Vapor Deposition of Crystalline Ga2Te3and Ga2Se3Thin Films
George, Kathryn; de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian; Chemistry of Materials 25 (2013) 1829–; doi:10.1021/cm400382j

data_4001773
_publ_section_title
;
 Telluroether and Selenoether Complexes as Single Source Reagents for Low
 Pressure Chemical Vapor Deposition of Crystalline Ga2Te3and Ga2Se3Thin
 Films
;
_journal_issue                   9
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1829
_journal_paper_doi               10.1021/cm400382j
_journal_volume                  25
_journal_year                    2013
_chemical_formula_moiety         'C11 H24 Cl6 Ga2 Te2'
_chemical_formula_structural     '(C11 H24 Te2) (Cl3 Ga)2'
_chemical_formula_sum            'C11 H24 Cl6 Ga2 Te2'
_chemical_formula_weight         763.64
_chemical_name_systematic
; 
 1,3-bis(tert-butyltelluro)propane-bis(trichlorogallium(III)) 
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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_date             2013-01-26
_audit_creation_method           'SHELXL-97 + hand edit'
_cell_angle_alpha                83.81(2)
_cell_angle_beta                 88.486(17)
_cell_angle_gamma                83.745(16)
_cell_formula_units_Z            2
_cell_length_a                   6.4351(18)
_cell_length_b                   13.119(4)
_cell_length_c                   14.261(5)
_cell_measurement_reflns_used    3064
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      3.1
_cell_volume                     1189.7(6)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device       'Four-circle \k diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 '
_diffrn_measurement_method       'Profile data from \w-scans'
_diffrn_radiation_collimation    'Confocal mirrors, VHF VariMax '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_sigmaI/netI    0.0999
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17609
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.87
_diffrn_source                   'Rotating anode X-ray tube'
_diffrn_source_type              'Rigaku FR-E+ Superbright'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.334
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.736
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;Jacobson, R.A. (1998). REQAB. Private communication to the 
 Rigaku Corporation, Tokyo, Japan. 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.015
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         5173
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0697
_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^)+(0.0000P)^2^+7.9718P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                4069
_reflns_number_total             5173
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cm400382j_si_002.cif
_cod_data_source_block           12kg05r2
_cod_original_cell_volume        1189.6(6)
_cod_database_code               4001773