Crystallography Open Database

Information card for entry 7703673

Preview

Coordinates	7703673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H43 Al3 Lu N O
Calculated formula	C29 H43 Al3 Lu N O
SMILES	[Lu]12345[O]([Al]([CH3]2)(C)C)C(Cc2[n]1c(ccc2)[CH]4([Al](C)(C)[CH3]5)[Al](C)(C)[CH3]3)(c1ccccc1)c1ccccc1
Title of publication	Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.
Authors of publication	Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	6
Pages of publication	2004 - 2013
a	11.1015 ± 0.0009 Å
b	21.7863 ± 0.0018 Å
c	13.0879 ± 0.001 Å
α	90°
β	104.751 ± 0.001°
γ	90°
Cell volume	3061.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0488
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
248774 (current)	2020-03-04	cif/ Adding structures of 7703672, 7703673, 7703674, 7703675, 7703676, 7703677 via cif-deposit CGI script.	7703673.cif