Crystallography Open Database

Information card for entry 7241791

Preview

Coordinates	7241791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H21 N4 O16 Sc3
Calculated formula	C40 H20 N4 O16 Sc3
Title of publication	Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142
Authors of publication	Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	4
Pages of publication	804 - 812
a	28.8613 ± 0.0002 Å
b	28.8613 ± 0.0002 Å
c	47.8704 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	34532.6 ± 0.4 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261611 (current)	2021-02-05	cif/ Updating files of 7241791, 7241792, 7241793, 7241794, 7241795 Original log message: Adding full bibliography for 7241791--7241795.cif.	7241791.cif
259854	2020-12-13	cif/ Adding structures of 7241791, 7241792, 7241793, 7241794, 7241795 via cif-deposit CGI script.	7241791.cif