Crystallography Open Database

Information card for entry 4086861

Preview

Coordinates	4086861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H56 Co F2 N3 P Si2
Calculated formula	C33 H56 Co F2 N3 P Si2
SMILES	C1(=N[P](C(C)(C)C)(C(C)(C)C)[Co](N1c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)c1cc(cc(c1)F)F
Title of publication	Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes
Authors of publication	Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura
Journal of publication	Organometallics
Year of publication	2016
a	11.293 ± 0.005 Å
b	12.262 ± 0.005 Å
c	16.355 ± 0.005 Å
α	77.258 ± 0.005°
β	71.916 ± 0.005°
γ	63.55 ± 0.005°
Cell volume	1918.5 ± 1.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
189675 (current)	2017-01-01	cif/ Adding structures of 4086858, 4086859, 4086860, 4086861, 4086862, 4086863 via cif-deposit CGI script.	4086861.cif