Crystallography Open Database

Information card for entry 1557636

Preview

Coordinates	1557636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 N3 O12 Tb
Calculated formula	C21 H27 N3 O12 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	10.4608 ± 0.0008 Å
b	10.9006 ± 0.001 Å
c	12.5293 ± 0.001 Å
α	104.61 ± 0.005°
β	107.84 ± 0.004°
γ	97.204 ± 0.004°
Cell volume	1283.78 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.72 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	0.0211
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	1557636.cif
251594	2020-05-05	cif/ Updating files of 1557636, 1557637 Original log message: Adding full bibliography for 1557636--1557637.cif.	1557636.cif
249594	2020-03-21	cif/ Adding structures of 1557636 via cif-deposit CGI script.	1557636.cif