Crystallography Open Database

Information card for entry 7248688

Preview

Coordinates	7248688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 K2 O20 Re2
Calculated formula	C24 H48 K2 O20 Re2
Title of publication	Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)
Authors of publication	Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	27
Pages of publication	3704 - 3713
a	8.3113 ± 0.0002 Å
b	15.5506 ± 0.0004 Å
c	14.6792 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1897.22 ± 0.08 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108.15 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.312
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
293794 (current)	2024-08-05	cif/ Updating files of 7248686, 7248687, 7248688, 7248689, 7248690 Original log message: Adding full bibliography for 7248686--7248690.cif.	7248688.cif
292041	2024-05-26	cif/ Adding structures of 7248686, 7248687, 7248688, 7248689, 7248690 via cif-deposit CGI script.	7248688.cif