Crystallography Open Database

Information card for entry 7045118

Preview

Coordinates	7045118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 N2 Yb
Calculated formula	C38 H52 N2 Yb
SMILES	[Yb]123456789([n]%10ccccc%10C=[N]1c1c(cccc1C(C)C)C(C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
Title of publication	Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.
Authors of publication	Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1566 - 1576
a	14.9338 ± 0.0012 Å
b	12.751 ± 0.0009 Å
c	17.6244 ± 0.0013 Å
α	90°
β	98.707 ± 0.002°
γ	90°
Cell volume	3317.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0326
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0667
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
229464 (current)	2019-11-17	cif/ Updating files of 7045118, 7045119, 7045120, 7045121 Original log message: Adding full bibliography for 7045118--7045121.cif.	7045118.cif
204470	2017-12-22	cif/ Adding structures of 7045118, 7045119, 7045120, 7045121 via cif-deposit CGI script.	7045118.cif