Crystallography Open Database

Information card for entry 4030939

Preview

Coordinates	4030939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 N2 O8 P2
Calculated formula	C6 H20 N2 O8 P2
Title of publication	Structure of (C~3~H~5~NH~3~)~2~H~2~P~2~O~7~ · H~2~O
Authors of publication	Soumhi, E. H.; Saadoune, I.; Driss, A.; Jouini, T.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1998
Journal volume	35
Journal issue	10-11
Pages of publication	699 - 706
a	4.828 ± 0.001 Å
b	11.011 ± 0.001 Å
c	25.645 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1363.3 ± 0.3 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182190 (current)	2016-04-18	cif/4/03/ (antanas@kurmis) Updating bibliography for entries 4030925-4030926, 4030934-4030941.	4030939.cif
178488	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 4/03/09.	4030939.cif
135142	2015-04-08	cif/ Adding structures of 4030939 via cif-deposit CGI script.	4030939.cif