Crystallography Open Database

Information card for entry 1508432

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Structure parameters

Formula	C5 H12 N5 P
Calculated formula	C5 H12 N5 P
Title of publication	Synthesis and Crystal Structures of New 5,5'-Azotetrazolates
Authors of publication	Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	1
Pages of publication	127 - 136
a	5.9035 ± 0.0009 Å
b	13.388 ± 0.002 Å
c	11.3173 ± 0.0019 Å
α	90°
β	93.941 ± 0.017°
γ	90°
Cell volume	892.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0391
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1508432.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508432.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508432.cif
69155	2012-12-03	cif/ Adding structures of 1508432 via cif-deposit CGI script.	1508432.cif