Crystallography Open Database

Information card for entry 7226756

Preview

Coordinates	7226756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 Cl N2 Rh
Calculated formula	C27 H32 Cl N2 Rh
SMILES	[Rh]123(Cl)(=C4N([C@@H]([C@@H](N4c4c(cccc4)C)C)C)c4c(cccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes
Authors of publication	Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	98
Pages of publication	95793
a	10.2032 ± 0.0002 Å
b	19.764 ± 0.0005 Å
c	14.072 ± 0.0003 Å
α	90°
β	97.576 ± 0.0013°
γ	90°
Cell volume	2812.93 ± 0.11 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
187226 (current)	2016-10-08	cif/ Adding structures of 7226755, 7226756, 7226757, 7226758, 7226759 via cif-deposit CGI script.	7226756.cif