Crystallography Open Database

Information card for entry 7108432

Preview

Coordinates	7108432.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 terephthalate dianion_ 2 europium(iii)_19 H2O
Formula	C78 H92 Eu2 N10 O39
Calculated formula	C78 H54 Eu2 N10 O23
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	23.198 ± 0.005 Å
b	15.455 ± 0.003 Å
c	34.046 ± 0.01 Å
α	90°
β	130.442 ± 0.019°
γ	90°
Cell volume	9290 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1312
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
180188 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/84.	7108432.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.	7108432.cif
67593	2012-10-01	cif/ Adding structures of 7108432, 7108433, 7108434, 7108435 via cif-deposit CGI script.	7108432.cif