Crystallography Open Database

Information card for entry 1544178

Preview

Coordinates	1544178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 Co2 N5 O9
Calculated formula	C35 H35 Co2 N5 O9
Title of publication	Sorption discrimination between secondary alcohol enantiomers by chiral alkyl-dicarboxylate MOFs
Authors of publication	Satska, Yulia A.; Mikhalyova, Elena A.; Chernenko, Zhanna V.; Kolotilov, Sergey V.; Zeller, Matthias; Komarov, Igor V.; Tymtsunik, Andriy V.; Tolmachev, Andrey; Gavrilenko, Konstantin S.; Addison, Anthony W.
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	96
Pages of publication	93707 - 93714
a	10.848 ± 0.0005 Å
b	10.848 ± 0.0005 Å
c	29.771 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3503.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1544178.cif
186673	2016-09-21	cif/ Adding structures of 1544178 via cif-deposit CGI script.	1544178.cif