The X-ray single crystal structure of [Me2In(acac)]2 and its use as a single-source precursor for the deposition of indium oxide thin films
Park, Jin-Ho; Horley, Graeme A.; O'Brien, Paul; Jones, Anthony C.; Motevalli, Majid; Journal of Materials Chemistry 11 (2001) 2346–; doi:10.1039/b102212l

data_7204140
_publ_section_title
;
 The X-ray single crystal structure of [Me2In(acac)]2 and its use as a
 single-source precursor for the deposition of indium oxide thin films
;
_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2346
_journal_paper_doi               10.1039/b102212l
_journal_volume                  11
_journal_year                    2001
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C14 H28 In2 O4'
_chemical_formula_structural     'C14 H28 IN2 O4'
_chemical_formula_sum            'C14 H26 In2 O4'
_chemical_formula_weight         487.99
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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             1999-06-02T13:22:28-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                108.39(6)
_cell_angle_beta                 112.48(5)
_cell_angle_gamma                101.46(5)
_cell_formula_units_Z            1
_cell_length_a                   8.581(5)
_cell_length_b                   8.507(6)
_cell_length_c                   8.033(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.76
_cell_measurement_theta_min      11.28
_cell_measurement_wavelength     0.71073
_cell_volume                     478.9(7)
_computing_cell_refinement       'CAD4/PC(Enraf Nonius, 1992)'
_computing_data_collection       'CAD4/PC(Enraf Nonius, 1992)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-96 (P.T. Beurskens, 1996)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_orient_matrix_type
;
x-axis points to radiation source
the matrix is specified in reciprocal space
;
_diffrn_orient_matrix_UB_11      -0.2576E-2
_diffrn_orient_matrix_UB_12      0.24996E-1
_diffrn_orient_matrix_UB_13      -0.1144
_diffrn_orient_matrix_UB_21      -0.71045E-1
_diffrn_orient_matrix_UB_22      0.07747
_diffrn_orient_matrix_UB_23      0.20248E-1
_diffrn_orient_matrix_UB_31      0.115267
_diffrn_orient_matrix_UB_32      0.105191
_diffrn_orient_matrix_UB_33      0.93944E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0103
_diffrn_reflns_av_sigmaI/netI    0.0086
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1791
_diffrn_reflns_theta_full        24.94
_diffrn_reflns_theta_max         24.94
_diffrn_reflns_theta_min         2.71
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        -4
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.416
_exptl_absorpt_correction_T_max  0.7442
_exptl_absorpt_correction_T_min  0.4685
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
Number of psi-scan sets used was   3
Theta correction was applied.
Averaged transmission function was used.
No Fourier smoothing was applied.
;
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             240
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       0.134(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     101
_refine_ls_number_reflns         1671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0199
_refine_ls_R_factor_gt           0.019
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0505
_reflns_number_gt                1616
_reflns_number_total             1671
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b102212l.txt
_cod_data_source_block           gah60
_cod_original_cell_volume        478.9(6)
_cod_database_code               7204140
_exptl_absorpt_factor_mur        0.848
_exptl_absorpt_correction_t_ave  0.4096
_diffrn_standards_decay_corr_max 1.003
_diffrn_standards_decay_corr_min 0.951