Crystallography Open Database

Information card for entry 7249126

Preview

Coordinates	7249126.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cr6CsHSeO4_H2O
Formula	C12 H24 Cs O11 Se
Calculated formula	C12 H24 Cs O11 Se
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	23.7101 ± 0.0016 Å
b	8.4597 ± 0.0007 Å
c	21.3553 ± 0.0018 Å
α	90°
β	109.486 ± 0.009°
γ	90°
Cell volume	4038.1 ± 0.6 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.2828
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	0.809
Diffraction radiation probe	x-ray
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
294513 (current)	2024-09-06	cif/ Updating files of 7249122, 7249123, 7249124, 7249125, 7249126 Original log message: Adding full bibliography for 7249122--7249126.cif.	7249126.cif
293571	2024-07-28	cif/ Adding structures of 7249122, 7249123, 7249124, 7249125, 7249126 via cif-deposit CGI script.	7249126.cif