Crystallography Open Database

Information card for entry 2019423

2019422 << 2019423 >> 2019424

Preview

Coordinates	2019423.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dicaesium monohydrogen phosphate(V) dihydrate
Formula	Cs2 H5 O6 P
Calculated formula	Cs2 H5 O6 P
SMILES	[Cs+].[O-]P(=O)(O)[O-].[Cs+].O.O
Title of publication	The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)
Authors of publication	Stöger, Berthold; Weil, Matthias
Journal of publication	Acta Crystallographica Section C
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	7 - 11
a	7.4764 ± 0.0005 Å
b	14.1898 ± 0.001 Å
c	7.9535 ± 0.0006 Å
α	90°
β	116.88 ± 0.002°
γ	90°
Cell volume	752.61 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.022
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0323
Weighted residual factors for all reflections included in the refinement	0.0332
Goodness-of-fit parameter for all reflections included in the refinement	1.61
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2019423.cif
104792	2014-03-11	cif/ hkl/ Adding structures of 2019422, 2019423, 2019424, 2019425 via cif-deposit CGI script.	2019423.cif