Crystallography Open Database

Information card for entry 1566949

Preview

Coordinates	1566949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Er N9 O10
Calculated formula	C15 H14 Er N9 O10
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	8.6201 ± 0.0003 Å
b	10.422 ± 0.0004 Å
c	11.9887 ± 0.0004 Å
α	80.139 ± 0.003°
β	79.145 ± 0.003°
γ	82.373 ± 0.003°
Cell volume	1036.52 ± 0.07 Å³
Cell temperature	125 ± 7 K
Ambient diffraction temperature	125 ± 7 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	0.0162
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.0373
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1566949.cif