Crystallography Open Database

Information card for entry 7711430

Preview

Coordinates	7711430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H45 F3 Ir N3 O4 S Si
Calculated formula	C31 H44 F3 Ir N3 O4 S Si
SMILES	[Ir]12345([n]6c(C(O[Si](CC)(CC)CC)=[N]1c1ccc(N(C)C)cc1)cccc6)[c]1([c]2([c]4([c]3([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Heterolytic cleavage of a Si-H bond by a metal-ligand cooperation of a cationic iridium amido complex and hydrosilylation of aldehydes.
Authors of publication	Iizuka, Kosuke; Nakajima, Yumiko; Sato, Kazuhiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	34
Pages of publication	12781 - 12785
a	10.1347 ± 0.0002 Å
b	15.7212 ± 0.0003 Å
c	22.1257 ± 0.0004 Å
α	90°
β	100.143 ± 0.002°
γ	90°
Cell volume	3470.18 ± 0.12 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	8
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	0.0436
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
278364 (current)	2022-10-05	cif/ Adding structures of 7711430, 7711431 via cif-deposit CGI script.	7711430.cif