Crystallography Open Database

Information card for entry 7112823

Preview

Coordinates	7112823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 Cl Ir N
Calculated formula	C15 H21 Cl Ir N
SMILES	c1(c(C)ccc[n+]1C)[Ir]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl
Title of publication	A simple, general route to 2-pyridylidene transition metal complexes.
Authors of publication	Roselló-Merino, Marta; Díez, Josefina; Conejero, Salvador
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	48
Pages of publication	9247 - 9249
a	10.2207 ± 0.0002 Å
b	11.3062 ± 0.0001 Å
c	13.6376 ± 0.0002 Å
α	90°
β	110.736 ± 0.002°
γ	90°
Cell volume	1473.84 ± 0.04 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	0.0332
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (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 7/11/28.	7112823.cif
112108	2014-04-29	cif/ Adding structures of 7112823, 7112824 via cif-deposit CGI script.	7112823.cif