Crystallography Open Database

Information card for entry 4130251

Preview

Coordinates	4130251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H16 B F15 O2 Si
Calculated formula	C25 H16 B F15 O2 Si
SMILES	[Si](OC=[O][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(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	9.3295 ± 0.0019 Å
b	10.959 ± 0.002 Å
c	14.335 ± 0.003 Å
α	105.772 ± 0.005°
β	90.51 ± 0.006°
γ	103.244 ± 0.005°
Cell volume	1369 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0853
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
240753 (current)	2019-11-25	cif/ Adding structures of 4130251 via cif-deposit CGI script.	4130251.cif