Synthesis of Bi2Te3 and (BixSb1-x)2Te3 nanoparticles using the novel IL [C4mim]3[Bi3I12].
Loor, M.; Bendt, G.; Hagemann, U.; Wölper, C; Assenmacher, W.; Schulz, S.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 15326–15335; doi:10.1039/c6dt02361d

data_7040546
_publ_section_title
;
 Synthesis of Bi2Te3 and (BixSb1-x)2Te3 nanoparticles using the novel IL
 [C4mim]3[Bi3I12].
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15326
_journal_page_last               15335
_journal_paper_doi               10.1039/c6dt02361d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C24 H45 Bi3 I12 N6'
_chemical_formula_weight         2567.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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_method           SHELXL-2014/7
_audit_update_record
;
2016-05-13 deposited with the CCDC.
2016-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.503(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.5900(9)
_cell_length_b                   15.9186(7)
_cell_length_c                   19.3836(9)
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      28.22
_cell_measurement_theta_min      2.33
_cell_volume                     5392.6(4)
_computing_cell_refinement       'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_data_collection       'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_data_reduction        'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_computing_molecular_graphics    'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type
; 
 Bruker D8 KAPPA series II with APEX II area detector system
;
_diffrn_measurement_method
;
 Data collection strategy APEX 2/COSMO
;
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1193
_diffrn_reflns_av_unetI/netI     0.1043
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            87677
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.408
_diffrn_reflns_theta_min         1.660
_exptl_absorpt_coefficient_mu    16.658
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
 BRUKER AXS SMART APEX 2 Vers. 3.0-2009
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.162
_exptl_crystal_description       tablet
_exptl_crystal_F_000             4464
_exptl_crystal_size_max          0.145
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.047
_refine_diff_density_max         2.683
_refine_diff_density_min         -2.694
_refine_diff_density_rms         0.418
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         13458
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0188P)^2^+33.2136P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0864
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8222
_reflns_number_total             13458
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt02361d2.cif
_cod_data_source_block           malo_001m
_cod_depositor_comments
;Adding full bibliography for 7040546.cif.

 Adding full bibliography for 7040546.cif.
;
_cod_database_code               7040546
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.196
_shelx_estimated_absorpt_t_max   0.508
_exptl_absorpt_special_details
; 
  Crystal faces:

     H       K       L      d(mm)

   1.000   0.000   0.000   0.02300
  -1.000   0.000   0.000   0.01000
   0.000  -1.000  -1.000   0.04700
   0.000   1.000   1.000   0.03200
   0.000   2.000   1.000   0.02300
   0.000  -2.000  -1.000   0.04400
   0.000   0.000   1.000   0.05000
  -1.000   5.000  -5.000   0.01300
;
_shelx_res_checksum              1534