Crystallography Open Database

Information card for entry 7158327

Preview

Coordinates	7158327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32.65 Cl Ir N O1.32 P
Calculated formula	C27 H32.64 Cl Ir N O1.32 P
Title of publication	Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(III) complexes bearing an amidato ligand.
Authors of publication	Dai, Zengjin; Pan, Ying-Min; Wang, Shou-Guo; Zhang, Xumu; Yin, Qin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	41
Pages of publication	8934 - 8939
a	12.8894 ± 0.0007 Å
b	13.1148 ± 0.0007 Å
c	14.7203 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2488.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270496 (current)	2021-11-06	cif/ Updating files of 7158327 Original log message: Adding full bibliography for 7158327.cif.	7158327.cif
269418	2021-10-01	cif/ Adding structures of 7158327 via cif-deposit CGI script.	7158327.cif