Nanostructured tungsten sulfides: insights into precursor decomposition and the microstructure using X-ray scattering methods.
Mangelsen, Sebastian; Srinivasan, Bikshandarkoil R.; Schürmann, Ulrich; Kienle, Lorenz; Näther, Christian; Bensch, Wolfgang; Dalton transactions (Cambridge, England : 2003) 48 (2019) 1184–1201; doi:10.1039/c8dt04205e

data_7048270
_publ_section_title
;
 Nanostructured tungsten sulfides: insights into precursor decomposition
 and the microstructure using X-ray scattering methods.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1184
_journal_page_last               1201
_journal_paper_doi               10.1039/c8dt04205e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'H10 N4 S4 W'
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_audit_update_record
;
2018-10-17 deposited with the CCDC.
2018-11-27 downloaded from the CCDC.
;
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_computing_cell_refinement       'Stadi-4 program package(STOE, 2014)'
_computing_data_collection       'Stadi-4 program package (STOE, 2014)'
_computing_data_reduction        'Stadi-4 program package(STOE, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
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_refine_ls_abs_structure_details
;
 Flack x determined using 899 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.005(9)
_refine_ls_extinction_coef       0.0020(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0233
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0219P)^2^+0.2248P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0431
_refine_ls_wR_factor_ref         0.0442
_reflns_Friedel_coverage         0.612
_reflns_Friedel_fraction_full    0.940
_reflns_Friedel_fraction_max     0.869
_reflns_number_gt                2396
_reflns_number_total             2544
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04205e2.cif
_cod_data_source_block           srini43neu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7048270--7048271.cif.
;
_cod_database_code               7048270
_shelxl_version_number           2014-3
_shelx_res_checksum              85419