Crystallography Open Database

Information card for entry 4510273

Preview

Coordinates	4510273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Cu N4 O4
Calculated formula	C22 H18 Cu N4 O4
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	14.5663 ± 0.0006 Å
b	13.4855 ± 0.0005 Å
c	24.6581 ± 0.0014 Å
α	90°
β	94.734 ± 0.002°
γ	90°
Cell volume	4827.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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.	4510273.cif
109006	2014-04-07	cif/ Adding structures of 4510273 via cif-deposit CGI script.	4510273.cif