Crystallography Open Database

Information card for entry 7249123

Preview

Coordinates	7249123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H25 K O10 S0.5 Se0.5
Calculated formula	C12 H25 K O10 S0.5 Se0.5
Title of publication	Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors
Authors of publication	Ocak, Samet; Braga, Dario; d'Agostino, Simone
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	33
Pages of publication	4525 - 4532
a	10.3093 ± 0.0008 Å
b	8.523 ± 0.0006 Å
c	21.5977 ± 0.0015 Å
α	90°
β	99.684 ± 0.007°
γ	90°
Cell volume	1870.7 ± 0.2 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
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	0.2703
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation probe	x-ray
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
294513 (current)	2024-09-06	cif/ Updating files of 7249122, 7249123, 7249124, 7249125, 7249126 Original log message: Adding full bibliography for 7249122--7249126.cif.	7249123.cif
293571	2024-07-28	cif/ Adding structures of 7249122, 7249123, 7249124, 7249125, 7249126 via cif-deposit CGI script.	7249123.cif