Crystallography Open Database

Information card for entry 4322165

Preview

Coordinates	4322165.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tin(II) phosphide iodide
Chemical name	tin(II) phosphide iodide
Formula	I8 P19.29 Sn24
Calculated formula	I8 P19.294 Sn24
Title of publication	First Tin Pnictide Halides Sn24P19.3I8 and Sn24As19.3I8: Synthesis and the Clathrate-I Type of the Crystal Structure
Authors of publication	Mikhail M. Shatruk; Kirill A. Kovnir; Andrei V. Shevelkov; Igor A. Presniakov; Boris A. Popovkin
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3455 - 3457
a	10.954 ± 0.001 Å
b	10.954 ± 0.001 Å
c	10.954 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1314.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.026
Weighted residual factors for all reflections	0.054
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for all reflections	1.266
Goodness-of-fit parameter for significantly intense reflections	1.275
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179324 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/21.	4322165.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4322165.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4322165.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4322165.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322165.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322165.cif
20424	2011-06-06	../uploads/cif-deposit/cod/cif Adding structures of 4322165 via cif-deposit CGI script.	4322165.cif