Crystallography Open Database

Information card for entry 1566947

Preview

Coordinates	1566947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Er N9 O12.5
Calculated formula	C15 H14 Er N9 O12.5
Title of publication	Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF
Authors of publication	Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio
Journal of publication	Chemical Science
Year of publication	2022
a	8.9555 ± 0.0007 Å
b	9.4191 ± 0.0007 Å
c	15.4553 ± 0.0012 Å
α	75.154 ± 0.007°
β	77.176 ± 0.007°
γ	67.936 ± 0.007°
Cell volume	1156.33 ± 0.17 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
275306 (current)	2022-05-11	cif/ Adding structures of 1566947, 1566948, 1566949, 1566950 via cif-deposit CGI script.	1566947.cif