Crystallography Open Database

Information card for entry 2241962

2241961 << 2241962 >> 2241963

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Structure parameters

Chemical name	(Acetonitrile-κ<i>N</i>)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)
Formula	C28 H27 Cu I N3
Calculated formula	C28 H27 Cu I N3
SMILES	[Cu]1(I)([N](c2c(cc(cc2C)C)C)=C(C)c2[n]1c(ccc2)c1cccc2c1cccc2)[N]#CC
Title of publication	Crystal structure of (acetonitrile-κ<i>N</i>)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)
Authors of publication	Al-Najjar, Nada; Solan, Gregory A.; Singh, Kuldip
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	12
Pages of publication	1845 - 1847
a	14.689 ± 0.003 Å
b	8.0775 ± 0.0015 Å
c	21.861 ± 0.004 Å
α	90°
β	103.942 ± 0.003°
γ	90°
Cell volume	2517.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0981
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	0.769
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
188748 (current)	2016-11-30	cif/ hkl/ Adding structures of 2241962 via cif-deposit CGI script.	2241962.cif 2241962.hkl