Crystallography Open Database

Information card for entry 7247400

Preview

Coordinates	7247400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 O30 Yb4
Calculated formula	C48 H36 O30 Yb4
Title of publication	Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs
Authors of publication	Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	40
Pages of publication	5629 - 5640
a	9.59605 ± 0.0001 Å
b	26.1011 ± 0.0003 Å
c	37.7873 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9464.49 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287348 (current)	2023-11-06	cif/ Updating files of 7247398, 7247399, 7247400 Original log message: Adding full bibliography for 7247398--7247400.cif.	7247400.cif
286346	2023-09-15	cif/ Adding structures of 7247398, 7247399, 7247400 via cif-deposit CGI script.	7247400.cif