Crystallography Open Database

Information card for entry 2311812

Preview

Coordinates	2311812.cif
Original IUCr paper	HTML

Structure parameters

Common name	calcium iodide 6.5 hydrate
Chemical name	Calcium iodide 6.5-hydrate
Formula	Ca H13 I2 O6.5
Calculated formula	Ca H13 I2 O6.5
Title of publication	Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.
Authors of publication	Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2014
Journal volume	70
Journal issue	Pt 9
Pages of publication	876 - 881
a	16.466 ± 0.003 Å
b	8.2919 ± 0.0011 Å
c	17.947 ± 0.003 Å
α	90°
β	111.045 ± 0.012°
γ	90°
Cell volume	2286.9 ± 0.7 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
246125 (current)	2019-12-26	cif/ Adding structures of 2311809, 2311810, 2311811, 2311812 via cif-deposit CGI script.	2311812.cif