Crystallography Open Database

Information card for entry 2311810

Preview

Coordinates	2311810.cif
Original IUCr paper	HTML

Structure parameters

Common name	Calcium iodide octahydrate
Chemical name	Calcium iodide octahydrate
Formula	Ca H16 I2 O8
Calculated formula	Ca H16 I2 O8
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	7.4521 ± 0.0014 Å
b	8.6127 ± 0.0019 Å
c	10.725 ± 0.002 Å
α	86.048 ± 0.017°
β	84.184 ± 0.016°
γ	72.427 ± 0.016°
Cell volume	652.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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.	2311810.cif