Crystallography Open Database

Information card for entry 7116027

Preview

Coordinates	7116027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 Cu4 N8 O8
Calculated formula	C44 H84 Cu4 N4 O24
Title of publication	Femtomolar level sensing of inorganic arsenic(III) in water and in living-systems using a non-toxic fluorescent probe
Authors of publication	Biswajit Dey; Priyanka Mukherjee; Ranjan Kumar Mondal; Asoke Prasun Chattopadhyay; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Michel Fleck
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15263
a	6.864 ± 0.0014 Å
b	23.286 ± 0.005 Å
c	9.758 ± 0.004 Å
α	90°
β	113.86 ± 0.02°
γ	90°
Cell volume	1426.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.239
Residual factor for significantly intense reflections	0.124
Weighted residual factors for significantly intense reflections	0.2595
Weighted residual factors for all reflections included in the refinement	0.295
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116027.cif
128808	2014-12-17	cif/ Adding structures of 7116027 via cif-deposit CGI script.	7116027.cif