Crystallography Open Database

Information card for entry 4508575

Preview

Coordinates	4508575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N4 O4 Zn
Calculated formula	C22 H18 N4 O4 Zn
Title of publication	A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study
Authors of publication	Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	12
Pages of publication	5442
a	10.2678 ± 0.0008 Å
b	13.0131 ± 0.001 Å
c	15.9584 ± 0.0011 Å
α	90°
β	110.229 ± 0.005°
γ	90°
Cell volume	2000.8 ± 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	0.0437
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179621 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/85.	4508575.cif
91610	2013-12-13	cif/ Adding structures of 4508575 via cif-deposit CGI script.	4508575.cif