Crystallography Open Database

Information card for entry 4107226

Preview

Coordinates	4107226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H64 N4 O14 Zn2
Calculated formula	C50 H64 N4 O14 Zn2
Title of publication	Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission
Authors of publication	Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20126 - 20129
a	13.7007 ± 0.0016 Å
b	17.152 ± 0.002 Å
c	21.461 ± 0.003 Å
α	90°
β	90.003 ± 0.003°
γ	90°
Cell volume	5043.2 ± 1.1 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	0.0668
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107226.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107226.cif
54878	2012-04-30	cif/ Adding structures of 4107226 via cif-deposit CGI script.	4107226.cif