Crystallography Open Database

Information card for entry 1542345

Preview

Coordinates	1542345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 F3 Ir N2 O4 Si
Calculated formula	C21 H26 F3 Ir N2 O4 Si
SMILES	[IrH]123([Si](Oc4[n]1cccc4)(Oc1[n]2cccc1)C)(OC(=O)C(F)(F)F)[CH]1=[CH]3CCCCCC1
Title of publication	Tuning the activity and selectivity of iridium-NSiN catalyzed CO2hydrosilylation processes
Authors of publication	Julián, Alejandro; Jaseer, E. A.; Garcés, Karin; Fernández-Alvarez, Francisco J.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	12
Pages of publication	4410
a	28.294 ± 0.0017 Å
b	11.04 ± 0.0007 Å
c	15.2266 ± 0.0009 Å
α	90°
β	111.304 ± 0.001°
γ	90°
Cell volume	4431.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.317
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
185090 (current)	2016-08-07	cif/ Updating files of 1542345 Original log message: Adding full bibliography for 1542345.cif.	1542345.cif
175248	2016-01-29	cif/ Adding structures of 1542345 via cif-deposit CGI script.	1542345.cif