Crystallography Open Database

Information card for entry 4130250

Preview

Coordinates	4130250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H16 Al F15 O2 Si
Calculated formula	C25 H16 Al F15 O2 Si
SMILES	[Al](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[O]=CO[Si](CC)(CC)CC
Title of publication	Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.
Authors of publication	Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	16
Pages of publication	5321 - 5333
a	11.885 ± 0.005 Å
b	14.91 ± 0.006 Å
c	15.662 ± 0.006 Å
α	90°
β	83.841 ± 0.013°
γ	90°
Cell volume	2759.4 ± 1.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0399
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
240752 (current)	2019-11-25	cif/ Adding structures of 4130250 via cif-deposit CGI script.	4130250.cif