Crystallography Open Database

Information card for entry 4508573

Preview

Coordinates	4508573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N4 O4 Zn
Calculated formula	C26 H28 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	9.804 ± 0.002 Å
b	10.291 ± 0.003 Å
c	12.584 ± 0.003 Å
α	80.787 ± 0.011°
β	68.059 ± 0.01°
γ	84.556 ± 0.012°
Cell volume	1161.6 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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.	4508573.cif
91606	2013-12-13	cif/ Adding structures of 4508573 via cif-deposit CGI script.	4508573.cif