Crystallography Open Database

Information card for entry 4030522

Preview

Coordinates	4030522.cif

Structure parameters

Formula	C8 H52 N8 O30 P8
Calculated formula	C8 N8 O30 P8
SMILES	C(C[NH3+])[NH3+].[NH3+]CC[NH3+].[NH3+]CC[NH3+].P1(=O)([O-])OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-])[O-].O.O.O.C(C[NH3+])[NH3+].O.O.O
Title of publication	Ethyllenediammonium cyclooctaphosphate hexahydrate: the first example of an organic-cation cyclooctaphosphate
Authors of publication	Averbuch-Pouchot, M. T.; Durif, A.; Schulke, U.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1993
Journal volume	30
Pages of publication	557 - 563
a	11.833 ± 0.002 Å
b	21.844 ± 0.003 Å
c	7.467 ± 0.002 Å
α	90°
β	98.49 ± 0.03°
γ	90°
Cell volume	1908.9 ± 0.7 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.039
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
178484 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05.	4030522.cif
130274	2015-02-02	cif/ Adding structures of 4030522 via cif-deposit CGI script.	4030522.cif