Crystallography Open Database

Information card for entry 1557637

Preview

Coordinates	1557637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 N O7 Tb
Calculated formula	C11 H10 N O7 Tb
Title of publication	Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks
Authors of publication	Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	16
Pages of publication	4164 - 4170
a	13.388 ± 0.003 Å
b	6.6366 ± 0.0012 Å
c	15.567 ± 0.002 Å
α	90°
β	98.599 ± 0.014°
γ	90°
Cell volume	1367.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0552
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
257336 (current)	2020-10-06	cif/ Updating files of 1557636, 1557637 Original log message: Adding full bibliography for 1557636--1557637.cif.	1557637.cif
251594	2020-05-05	cif/ Updating files of 1557636, 1557637 Original log message: Adding full bibliography for 1557636--1557637.cif.	1557637.cif
249595	2020-03-21	cif/ Adding structures of 1557637 via cif-deposit CGI script.	1557637.cif