Crystallography Open Database

Information card for entry 7241794

Preview

Coordinates	7241794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H38 N O16 Sc3
Calculated formula	C58 H38 N 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	31.808 ± 0.0016 Å
b	31.808 ± 0.0016 Å
c	16.9754 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	14873.8 ± 1.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7241794.cif
259854	2020-12-13	cif/ Adding structures of 7241791, 7241792, 7241793, 7241794, 7241795 via cif-deposit CGI script.	7241794.cif