Crystallography Open Database

Information card for entry 7218536

Preview

Coordinates	7218536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 Br4 Cu2 N6 O
Calculated formula	C26 H44 Br4 Cu2 N6 O
SMILES	Br[Cu]12([OH2])[N]3(CC[NH]1Cc1ccc(cc1)C[NH]1[Cu]4(Br)(Br)[N](CC1)(CC[NH]4Cc1ccc(cc1)C[NH]2CC3)C)C.[Br-]
Title of publication	A highly efficient dinuclear Cu(II) chemosensor for colorimetric and fluorescent detection of cyanide in water
Authors of publication	Rhaman, Md Mhahabubur; Alamgir, Azmain; Wong, Bryan; Powell, Douglas; Hossain, Md. Alamgir
Journal of publication	RSC Adv.
Year of publication	2014
a	7.9296 ± 0.001 Å
b	9.0949 ± 0.0012 Å
c	22.638 ± 0.003 Å
α	90°
β	99.403 ± 0.007°
γ	90°
Cell volume	1610.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
180516 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85.	7218536.cif
125541	2014-10-18	cif/ Adding structures of 7218536 via cif-deposit CGI script.	7218536.cif