Crystallography Open Database

Information card for entry 7709040

Preview

Coordinates	7709040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Ce N O9.5
Calculated formula	C8 H6 Ce N O9.5
Title of publication	Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.
Authors of publication	Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	145 - 155
a	6.79808 ± 0.00015 Å
b	12.0497 ± 0.0003 Å
c	13.5329 ± 0.0003 Å
α	90°
β	100.334 ± 0.002°
γ	90°
Cell volume	1090.56 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.335
Diffraction radiation probe	x-ray
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
272651 (current)	2022-02-04	cif/ Updating files of 7709038, 7709039, 7709040, 7709041 Original log message: Adding full bibliography for 7709038--7709041.cif.	7709040.cif
271148	2021-12-07	cif/ Adding structures of 7709038, 7709039, 7709040, 7709041 via cif-deposit CGI script.	7709040.cif