Crystallography Open Database

Information card for entry 4301646

Preview

Coordinates	4301646.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cesium nitrosodicyanmethanide
Formula	C3 Cs N3 O
Calculated formula	C3 Cs N3 O
Title of publication	Monovalent K, Cs, Tl, and Ag Nitrosodicyanomethanides: Completely Different 3D Networks with Useful Properties of Luminescent Materials and Nonelectric Sensors for Gases
Authors of publication	Garrett Glover; Nikolay Gerasimchuk; Richard Biagioni; Konstantin V. Domasevitch
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2371 - 2382
a	7.816 ± 0.006 Å
b	13.137 ± 0.008 Å
c	5.65 ± 0.005 Å
α	90°
β	94.385 ± 0.014°
γ	90°
Cell volume	578.4 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179054 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/16.	4301646.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4301646.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301646.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301646.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4301646.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4301646.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301646.cif