Crystallography Open Database

Information card for entry 7055853

Preview

Coordinates	7055853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 N O3
Calculated formula	C7 H7 N O3
SMILES	c1cc([nH]c(=O)c1C(=O)O)C
Title of publication	Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch
Authors of publication	Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	12
Pages of publication	10378
a	7.39817 ± 0.00015 Å
b	13.0179 ± 0.0002 Å
c	14.3767 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1384.6 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
190249 (current)	2017-01-09	cif/ Updating files of 7055852, 7055853, 7055854, 7055855 Original log message: Adding full bibliography for 7055852--7055855.cif.	7055853.cif
187716	2016-11-01	cif/ Adding structures of 7055852, 7055853, 7055854, 7055855 via cif-deposit CGI script.	7055853.cif