Crystallography Open Database

Information card for entry 4510271

Preview

Coordinates	4510271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 O5 Zn
Calculated formula	C10 H10 O5 Zn
Title of publication	Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies
Authors of publication	Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	2022
a	6.3131 ± 0.0003 Å
b	8.0821 ± 0.0005 Å
c	20.8006 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1061.31 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
179649 (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 4/51/02.	4510271.cif
109004	2014-04-07	cif/ Adding structures of 4510271 via cif-deposit CGI script.	4510271.cif