Crystallography Open Database

Information card for entry 4088080

Preview

Coordinates	4088080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H39 Al2 Sm
Calculated formula	C18 H39 Al2 Sm
SMILES	[Sm]1234567([CH3][Al]([CH3]1)([CH3]3)C)([CH3][Al]([CH3]2)(C)C)[c]1([c]4([c]5([c]6([c]71C)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	17.0888 ± 0.001 Å
b	14.3626 ± 0.0009 Å
c	17.989 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4415.2 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4088080.cif