Crystallography Open Database

Information card for entry 4510325

Preview

Coordinates	4510325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H9 N0 O11 Zn2
Calculated formula	C24 H9 O11 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	12.314 ± 0.004 Å
b	14.986 ± 0.006 Å
c	27.116 ± 0.009 Å
α	90°
β	106.765 ± 0.013°
γ	90°
Cell volume	4791 ± 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	0.0812
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1532
Goodness-of-fit parameter for all reflections included in the refinement	0.903
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.	4510325.cif
109037	2014-04-07	cif/ Adding structures of 4510325 via cif-deposit CGI script.	4510325.cif