Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.
Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar; Journal of applied crystallography 56 (2023) 1322–1329; doi:10.1107/S1600576723007215

data_2300714
_publ_section_title
;
 Indium <i>K</i>&#x3b1; radiation from a MetalJet X-ray source: comparison
 of the Eiger2 CdTe and Photon III detectors.
;
_journal_issue                   'Pt 5'
_journal_name_full               'Journal of applied crystallography'
_journal_page_first              1322
_journal_page_last               1329
_journal_paper_doi               10.1107/S1600576723007215
_journal_volume                  56
_journal_year                    2023
_chemical_formula_moiety         'Pt9 Sc2 Si3'
_chemical_formula_sum            'Pt9 Sc2 Si3'
_chemical_formula_weight         1930.00
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
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_cell_angle_alpha                90
_cell_angle_beta                 116.40(2)
_cell_angle_gamma                90
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_cell_length_b                   7.521(2)
_cell_length_c                   9.702(3)
_cell_measurement_reflns_used    9931
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      42.471
_cell_measurement_theta_min      2.334
_cell_volume                     848.1(4)
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_collection       'Bruker APEX2 v2012.2'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_type            'Dectris Eiger 2 CdTe 1M'
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           InK\a
_diffrn_radiation_wavelength     0.5134
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -23
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_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        17.941
_diffrn_reflns_theta_max         42.536
_diffrn_reflns_theta_min         2.330
_diffrn_source                   'Excillum In Metaljet D2 70 kV'
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_exptl_absorpt_correction_T_min  0.0951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            violet
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_exptl_crystal_description       block
_exptl_crystal_F_000             3144
_exptl_crystal_size_max          0.059
_exptl_crystal_size_mid          0.049
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_refine_diff_density_min         -5.386
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
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_refine_ls_hydrogen_treatment    undef
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_refine_ls_number_parameters     67
_refine_ls_number_reflns         8103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0142P)^2^+15.7688P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7250
_reflns_number_total             8103
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            nb5354sup1.cif
_cod_data_source_block           ScPtSi_eiger
_cod_depositor_comments
'Adding full bibliography for 2300712--2300725.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2300714
_cod_database_fobs_code          2300714
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.116
_shelx_estimated_absorpt_t_max   0.178
_shelx_res_checksum              92116
_shelx_hkl_checksum              97827