Crystallography Open Database

Information card for entry 7703674

Preview

Coordinates	7703674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H51 Al3 N Nd O
Calculated formula	C33.5 H51 Al3 N Nd O
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	10.6177 ± 0.0003 Å
b	11.4277 ± 0.0004 Å
c	16.3857 ± 0.0004 Å
α	93.045 ± 0.002°
β	99.235 ± 0.001°
γ	112.817 ± 0.001°
Cell volume	1794.24 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7703674.cif