Crystallography Open Database

Information card for entry 7223896

Preview

Coordinates	7223896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Ce N5 O13
Calculated formula	C20 H14 Ce N2 O10
Title of publication	Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction
Authors of publication	Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	8
Pages of publication	1337
a	26.921 ± 0.002 Å
b	26.921 ± 0.002 Å
c	26.921 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	19511 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0588
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
177751 (current)	2016-03-05	cif/ Updating files of 7223893, 7223894, 7223895, 7223896, 7223897 Original log message: Adding full bibliography for 7223893--7223897.cif.	7223896.cif
174515	2016-01-16	cif/ Adding structures of 7223893, 7223894, 7223895, 7223896, 7223897 via cif-deposit CGI script.	7223896.cif