Crystallography Open Database

Information card for entry 8102913

Preview

Coordinates	8102913.cif

Structure parameters

Chemical name	hexaaquanickel(II) hydrogenphosphate monohydrate
Formula	H7.5 Ni0.5 O5.5 P0.5
Calculated formula	H7.5 Ni0.5 O5.5 P0.5
Title of publication	Crystal structure of hexaaquanickel(II) hydrogenphosphate monohydrate, [Ni(H~2~O)~6~][HPO~4~] · H~2~O
Authors of publication	X.-W. Wang; P. Wang; Y.-Q. Zheng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	3
Pages of publication	321 - 322
a	6.916 ± 0.0003 Å
b	6.1032 ± 0.0003 Å
c	11.1679 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	471.39 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.018
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0472
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102913.cif
107931	2014-03-24	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102913.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102913.cif
13652	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102913 via cif-deposit CGI script.	8102913.cif