On the synthesis and manipulation of InAs quantum dots
Green, Mark; Norager, Sebastian; Moriarty, Philip; Motevalli, Majid; O'Brien, Paul; Journal of Materials Chemistry 10 (2000) 1939–; doi:10.1039/b001354o

data_7203973
_publ_section_title
;
 On the synthesis and manipulation of InAs quantum dots
;
_journal_issue                   8
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1939
_journal_paper_doi               10.1039/b001354o
_journal_volume                  10
_journal_year                    2000
_chemical_formula_structural     'C50 H80 O8 IN2'
_chemical_formula_sum            'C21 H27 Cl3 In N3'
_chemical_formula_weight         542.63
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_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
_cell_angle_alpha                74.970(10)
_cell_angle_beta                 83.31(2)
_cell_angle_gamma                89.26(2)
_cell_formula_units_Z            8
_cell_length_a                   9.7330(10)
_cell_length_b                   20.826(2)
_cell_length_c                   25.311(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.49
_cell_measurement_theta_min      8.12
_cell_measurement_wavelength     0.71073
_cell_volume                     4920.5(10)
_computing_cell_refinement       'CAD4/PC(Enraf Nonius, 1992)'
_computing_data_collection       'CAD4/PC(Enraf Nonius, 1992)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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      -0.4485E-2
_diffrn_orient_matrix_UB_12      0.47432E-1
_diffrn_orient_matrix_UB_13      0.1695E-2
_diffrn_orient_matrix_UB_21      -0.00571
_diffrn_orient_matrix_UB_22      -0.14765E-1
_diffrn_orient_matrix_UB_23      0.04108
_diffrn_orient_matrix_UB_31      0.103204
_diffrn_orient_matrix_UB_32      0.00214
_diffrn_orient_matrix_UB_33      -0.2492E-2
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_sigmaI/netI    0.1788
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            17345
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.01
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        7
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  0.7873
_exptl_absorpt_correction_T_min  0.4953
_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            'tranparent, orange'
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.96
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       0.00041(14)
_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   0.825
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         17345
_refine_ls_number_restraints     312
_refine_ls_restrained_S_all      0.818
_refine_ls_R_factor_all          0.2443
_refine_ls_R_factor_gt           0.0953
_refine_ls_shift/su_max          8.621
_refine_ls_shift/su_mean         0.322
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2874
_refine_ls_wR_factor_ref         0.3465
_reflns_number_gt                5497
_reflns_number_total             17345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b001354o.txt
_cod_data_source_block           xray
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4920.5(9)
_cod_database_code               7203973
_exptl_absorpt_factor_mur        0.237
_exptl_absorpt_correction_t_ave  0.616
_diffrn_standards_decay_corr_max 1.255
_diffrn_standards_decay_corr_min 0.965