Crystallography Open Database

Information card for entry 4131735

Preview

Coordinates	4131735.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(tris(dimethylsilyl)methyl)lanthanum
Formula	C21 H63 La Si9
Calculated formula	C21 H63 La Si9
SMILES	[La]123456([H][Si](C4([Si]([H]1)(C)C)[SiH](C)C)(C)C)([H][Si](C5([Si]([H]2)(C)C)[SiH](C)C)(C)C)[H][Si](C6([Si]([H]3)(C)C)[SiH](C)C)(C)C
Title of publication	Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.
Authors of publication	Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	46
Pages of publication	16862 - 16874
a	11.5248 ± 0.001 Å
b	11.5614 ± 0.001 Å
c	16.683 ± 0.002 Å
α	100.5 ± 0.001°
β	98.71 ± 0.001°
γ	114.73 ± 0.001°
Cell volume	1919.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	0.693
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
241904 (current)	2019-11-25	cif/ Adding structures of 4131735 via cif-deposit CGI script.	4131735.cif