Crystallography Open Database

Information card for entry 4510326

Preview

Coordinates	4510326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H15 O11 S Zn2
Calculated formula	C26 H15 O11 S Zn2
Title of publication	Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework
Authors of publication	Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1738
a	11.078 ± 0.005 Å
b	16.012 ± 0.006 Å
c	23.804 ± 0.009 Å
α	90°
β	95.333 ± 0.009°
γ	90°
Cell volume	4204 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1545
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2297
Goodness-of-fit parameter for all reflections included in the refinement	0.799
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
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510326.cif
109038	2014-04-07	cif/ Adding structures of 4510326 via cif-deposit CGI script.	4510326.cif