Crystallography Open Database

Information card for entry 7032822

Preview

Coordinates	7032822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N4 O13 Zn2
Calculated formula	C36 H26 N4 O13 Zn2
Title of publication	A luminescent 3D interpenetrating metal-organic framework for highly selective sensing of nitrobenzene.
Authors of publication	Singh, Divyendu; Nagaraja, C. M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	48
Pages of publication	17912 - 17915
a	12.0348 ± 0.0004 Å
b	12.8584 ± 0.0004 Å
c	13.6481 ± 0.0004 Å
α	89.712 ± 0.002°
β	66.644 ± 0.001°
γ	75.338 ± 0.001°
Cell volume	1864.98 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1067
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032822.cif
128377	2014-12-06	cif/ Updating files of 7032822 Original log message: Adding full bibliography for 7032822.cif.	7032822.cif
125528	2014-10-18	cif/ Adding structures of 7032822 via cif-deposit CGI script.	7032822.cif