Crystallography Open Database

Information card for entry 4510272

Preview

Coordinates	4510272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cd N2 O8
Calculated formula	C20 H24 Cd N2 O8
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	11.6251 ± 0.0009 Å
b	12.2299 ± 0.0011 Å
c	15.6845 ± 0.0013 Å
α	90°
β	109.713 ± 0.004°
γ	90°
Cell volume	2099.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0538
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	4510272.cif
109005	2014-04-07	cif/ Adding structures of 4510272 via cif-deposit CGI script.	4510272.cif