Crystallography Open Database

Information card for entry 4080246

Preview

Coordinates	4080246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H58 N2 Si6 Yb
Calculated formula	C20 H58 N2 Si6 Yb
SMILES	[Yb]1(C([SiH](C)C)([SiH](C)C)[SiH](C)C)(C([SiH](C)C)([SiH](C)C)[SiH](C)C)[N](C)(C)CC[N]1(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	9.171 ± 0.006 Å
b	19.213 ± 0.008 Å
c	20.296 ± 0.009 Å
α	90°
β	98.525 ± 0.013°
γ	90°
Cell volume	3537 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0763
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
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.	4080246.cif
85881	2013-05-07	cif/ Adding structures of 4080245, 4080246, 4080247, 4080248, 4080249, 4080250, 4080251, 4080252 via cif-deposit CGI script.	4080246.cif