Crystallography Open Database

Information card for entry 2238943

Preview

Coordinates	2238943.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Hexaaquanickel(II) dihydrogen hypodiphosphate
Formula	H14 Ni O12 P2
Calculated formula	H14 Ni O12 P2
SMILES	[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].P(=O)(P(=O)([O-])O)([O-])O
Title of publication	Hexaaquanickel(II) dihydrogen hypodiphosphate
Authors of publication	Gjikaj, Mimoza; Wu, Peng; Pook, Niels-Patrick
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	i83
a	9.3031 ± 0.0014 Å
b	5.8892 ± 0.0008 Å
c	9.762 ± 0.0012 Å
α	90°
β	96.111 ± 0.011°
γ	90°
Cell volume	531.8 ± 0.13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238943.cif
92386	2014-01-12	cif/ Adding structures of 2238943 via cif-deposit CGI script.	2238943.cif