Crystallography Open Database

Information card for entry 7703676

Preview

Coordinates	7703676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H51 Al3 N O Y
Calculated formula	C33.5 H51 Al3 N O Y
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	17.8953 ± 0.0013 Å
b	10.0184 ± 0.0008 Å
c	20.9266 ± 0.0015 Å
α	90°
β	109.621 ± 0.003°
γ	90°
Cell volume	3533.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7703676.cif