Crystallography Open Database

Information card for entry 7108435

Preview

Coordinates	7108435.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terepht
Formula	C79.5 H81.5 N10.5 O32.5 Tb2
Calculated formula	C79.5 H54 N10.5 O32.5 Tb2
Title of publication	Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly
Authors of publication	Han-Yuan Gong; Brett M. Rambo; Cory Nelson; Vincent M. Lynch; Xiaoyang Zhu; Jonathan L. Sessler
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	10186 - 10188
a	23.896 ± 0.005 Å
b	11.35 ± 0.002 Å
c	32.793 ± 0.007 Å
α	90°
β	97.64 ± 0.03°
γ	90°
Cell volume	8815 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1493
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1876
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7108435.cif
91951	2013-12-30	cif/7/10/ (saulius@koala.ibt.lt) Fixing structures from the distant future :) (correcting year 2912 -> 2012, adding last page and DOI) for entries 7108432 -- 7108435.	7108435.cif
67593	2012-10-01	cif/ Adding structures of 7108432, 7108433, 7108434, 7108435 via cif-deposit CGI script.	7108435.cif