Crystallography Open Database

Information card for entry 7004729

Preview

Coordinates	7004729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Cs N5 O2
Calculated formula	C Cs N5 O2
Title of publication	Alkali metal 5-nitrotetrazolate salts: prospective replacements for service lead(ii) azide in explosive initiators
Authors of publication	Klapötke, Thomas M.; Sabaté, Carles Miró; Welch, Jan M.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	45
Pages of publication	6372 - 6380
a	15.9926 ± 0.0005 Å
b	4.8284 ± 0.0001 Å
c	14.7039 ± 0.0004 Å
α	90°
β	104.607 ± 0.003°
γ	90°
Cell volume	1098.72 ± 0.05 Å³
Cell temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
179751 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/47.	7004729.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004729.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004729.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004729.cif