Crystallography Open Database

Information card for entry 4338667

Preview

Coordinates	4338667.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hafnyl chloride octahydrate
Formula	Cl8 H64 Hf4 O36
Calculated formula	Cl8 Hf4 O36
Title of publication	Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study.
Authors of publication	Kalaji, Ali; Skanthakumar, S.; Kanatzidis, Mercouri G.; Mitchell, John F.; Soderholm, L.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	12
Pages of publication	6321 - 6328
a	17.0336 ± 0.0012 Å
b	17.0336 ± 0.0012 Å
c	7.7023 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2234.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179489 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/86.	4338667.cif
119100	2014-07-05	cif/ Updating files of 4338666, 4338667 Original log message: Adding full bibliography for 4338666--4338667.cif.	4338667.cif
114914	2014-05-30	cif/ Adding structures of 4338667 via cif-deposit CGI script.	4338667.cif