Crystallography Open Database

Information card for entry 1530029

Preview

Coordinates	1530029.cif
External links	PubChem

Structure parameters

Chemical name	(C (N H2)3) (P F6)
Formula	C H6 F6 N3 P
Calculated formula	C H6 F6 N3 P
SMILES	[P](F)(F)(F)(F)(F)[F-].C(=[NH2+])(N)N
Title of publication	An x-ray and NMR study of structure and ion motion in C (N H3)3 P F6
Authors of publication	Grottel, M.; de Kozak, A.; Koziol, A.E.; Pajak, Z.
Journal of publication	Journal of Physics: Condensed Matter
Year of publication	1989
Journal volume	1
Pages of publication	7069 - 7083
a	7.427 Å
b	7.427 Å
c	7.427 Å
α	67.89°
β	67.89°
γ	67.89°
Cell volume	338.235 Å³
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :R
Hall space group symbol	-P 3* 2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301778 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure.	1530029.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1530029.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1530029.cif
154989	2015-09-06	cif/ Adding structures of 1530029 via cif-deposit CGI script.	1530029.cif