Crystallography Open Database

Information card for entry 4080245

Preview

Coordinates	4080245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H35 K N2 Si3
Calculated formula	C13 H35 K N2 Si3
SMILES	[K]1[N](C=C[N]1(C)C)(C)C.[C-]([SiH](C)C)([SiH](C)C)[SiH](C)C
Title of publication	Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds
Authors of publication	Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1300
a	8.935 ± 0.002 Å
b	10.743 ± 0.002 Å
c	12.522 ± 0.003 Å
α	98.081 ± 0.004°
β	105.754 ± 0.004°
γ	96.538 ± 0.004°
Cell volume	1130.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178691 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/02.	4080245.cif
85881	2013-05-07	cif/ Adding structures of 4080245, 4080246, 4080247, 4080248, 4080249, 4080250, 4080251, 4080252 via cif-deposit CGI script.	4080245.cif