Crystallography Open Database

Information card for entry 4088085

Preview

Coordinates	4088085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H50 Al Yb
Calculated formula	C28 H50 Al Yb
SMILES	[Yb]123456789([CH2]([Al]([CH2]1C)(CC)CC)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
Title of publication	Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
Authors of publication	Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5734
a	10.615 ± 0.002 Å
b	15.24 ± 0.003 Å
c	17.253 ± 0.004 Å
α	91.758 ± 0.003°
β	102.925 ± 0.003°
γ	92.034 ± 0.003°
Cell volume	2716.5 ± 1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1431
Residual factor for significantly intense reflections	0.1009
Weighted residual factors for significantly intense reflections	0.2864
Weighted residual factors for all reflections included in the refinement	0.3163
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
237248 (current)	2019-11-24	cif/ Adding structures of 4088073, 4088074, 4088075, 4088076, 4088077, 4088078, 4088079, 4088080, 4088081, 4088082, 4088083, 4088084, 4088085, 4088086, 4088087 via cif-deposit CGI script.	4088085.cif