Crystallography Open Database

Information card for entry 4510274

Preview

Coordinates	4510274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Cd2 N8 O8
Calculated formula	C44 H36 Cd2 N8 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	23.6532 ± 0.0009 Å
b	16.1209 ± 0.0006 Å
c	13.6472 ± 0.0005 Å
α	90°
β	97.159 ± 0.001°
γ	90°
Cell volume	5163.3 ± 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	0.1048
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2303
Weighted residual factors for all reflections included in the refinement	0.2376
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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.	4510274.cif
109007	2014-04-07	cif/ Adding structures of 4510274 via cif-deposit CGI script.	4510274.cif