Crystallography Open Database

Information card for entry 7045304

Preview

Coordinates	7045304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Cl2 Co N4
Calculated formula	C34 H24 Cl2 Co N4
SMILES	[Co]123(Cl)(Cl)[n]4c(cccc4C(=C(c4ccccc4)c4ccccc4)c4[n]2c(c2[n]1cccc2)ccc4)c1[n]3cccc1
Title of publication	A fluorescent turn-on probe for cyanide anion detection based on an AIE active cobalt(ii) complex.
Authors of publication	Gabr, Moustafa T.; Pigge, F. Christopher
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	6
Pages of publication	2079 - 2085
a	8.7245 ± 0.0017 Å
b	23.515 ± 0.005 Å
c	13.894 ± 0.003 Å
α	90°
β	91.65 ± 0.03°
γ	90°
Cell volume	2849.3 ± 1 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	0.1158
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
229602 (current)	2019-11-17	cif/ Updating files of 7045304 Original log message: Adding full bibliography for 7045304.cif.	7045304.cif
205296	2018-01-17	cif/ Adding structures of 7045304 via cif-deposit CGI script.	7045304.cif