Crystallography Open Database

Information card for entry 4333810

Preview

Coordinates	4333810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H48 B O7 Zn1.5
Calculated formula	C51 H48 B O7 Zn1.5
Title of publication	Luminescent Triarylboron-Functionalized Zinc Carboxylate Metal-Organic Framework
Authors of publication	Barry A. Blight; Rémy Guillet-Nicolas; Freddy Kleitz; Rui-Yao Wang; Suning Wang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1673 - 1675
a	35.497 ± 0.003 Å
b	35.497 ± 0.003 Å
c	35.497 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	44728 ± 7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	209
Hermann-Mauguin space group symbol	F 4 3 2
Hall space group symbol	F 4 2 3
Residual factor for all reflections	0.2663
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2333
Goodness-of-fit parameter for all reflections included in the refinement	1.589
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333810.cif
99618	2014-02-03	cif/ Adding structures of 4333810 via cif-deposit CGI script.	4333810.cif