Crystallography Open Database

Information card for entry 7700197

Preview

Coordinates	7700197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Cl5 Ge Ir N2
Calculated formula	C34 H50 Cl5 Ge Ir N2
Title of publication	Mesityl(amidinato)tetrylenes as ligands in iridium(i) and iridium(iii) complexes: silicon versus germanium and simple κ<sup>1</sup>-coordination versus cyclometallation.
Authors of publication	Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; González-Álvarez, Laura; Pérez-Carreño, Enrique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	29
Pages of publication	10996 - 11003
a	11.1461 ± 0.0004 Å
b	12.3199 ± 0.0006 Å
c	15.3703 ± 0.0005 Å
α	82.47 ± 0.003°
β	79.687 ± 0.003°
γ	67.955 ± 0.004°
Cell volume	1919.99 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223758 (current)	2019-11-07	cif/ Updating files of 7700197, 7700198 Original log message: Adding full bibliography for 7700197--7700198.cif.	7700197.cif
215767	2019-06-08	cif/ Adding structures of 7700197, 7700198 via cif-deposit CGI script.	7700197.cif