Crystallography Open Database

Information card for entry 4131736

Preview

Coordinates	4131736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H63 Pr Si9
Calculated formula	C21 H63 Pr Si9
SMILES	[Pr](C([SiH](C)C)([SiH](C)C)[SiH](C)C)(C([SiH](C)C)([SiH](C)C)[SiH](C)C)C([SiH](C)C)([SiH](C)C)[SiH](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	11.4598 ± 0.0006 Å
b	11.4911 ± 0.0006 Å
c	16.6786 ± 0.0009 Å
α	100.275 ± 0.0008°
β	98.368 ± 0.0007°
γ	114.643 ± 0.0007°
Cell volume	1903.98 ± 0.18 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	0.0304
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	0.72
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
241905 (current)	2019-11-25	cif/ Adding structures of 4131736 via cif-deposit CGI script.	4131736.cif