Crystallography Open Database

Information card for entry 7241462

Preview

Coordinates	7241462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 O15 Pr
Calculated formula	C16 H6 O15 Pr
Title of publication	Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system
Authors of publication	Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	1
Pages of publication	100 - 118
a	26.912 ± 0.002 Å
b	26.912 Å
c	26.912 Å
α	90°
β	90°
γ	90°
Cell volume	19491.2 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.1372
Residual factor for significantly intense reflections	0.1222
Weighted residual factors for significantly intense reflections	0.3309
Weighted residual factors for all reflections included in the refinement	0.4051
Goodness-of-fit parameter for all reflections included in the refinement	1.955
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
261588 (current)	2021-02-05	cif/ Updating files of 7241457, 7241458, 7241459, 7241460, 7241461, 7241462 Original log message: Adding full bibliography for 7241457--7241462.cif.	7241462.cif
259290	2020-11-29	cif/ Adding structures of 7241457, 7241458, 7241459, 7241460, 7241461, 7241462 via cif-deposit CGI script.	7241462.cif