Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications
Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias; Chemistry of Materials 23 (2011) 2428–; doi:10.1021/cm200282w

data_4000754
_publ_section_title
;
 Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors
 for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential
 for Thin Film Field Effect Transistor Applications
;
_journal_issue                   9
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2428
_journal_paper_doi               10.1021/cm200282w
_journal_volume                  23
_journal_year                    2011
_chemical_formula_sum            'C27 H64 O4 Sn4 Zn4'
_chemical_formula_weight         1189.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.148(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.3691(8)
_cell_length_b                   11.2041(6)
_cell_length_c                   17.6065(11)
_cell_measurement_reflns_used    9832
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.8806
_cell_measurement_theta_min      2.9806
_cell_volume                     2200.4(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S Sapphire'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0659
_diffrn_reflns_av_sigmaI/netI    0.0627
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14024
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    4.396
_exptl_absorpt_correction_T_max  0.6435
_exptl_absorpt_correction_T_min  0.2537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.767
_refine_diff_density_min         -1.212
_refine_diff_density_rms         0.245
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.18(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         7005
_refine_ls_number_restraints     83
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0669
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0782P)^2^+24.5649P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
_refine_ls_wR_factor_ref         0.1639
_reflns_number_gt                6161
_reflns_number_total             7005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm200282w_si_002.cif
_cod_data_source_block           tsar3
_cod_original_sg_symbol_H-M      P21
_cod_database_code               4000754