Crystallography Open Database

Information card for entry 7045119

Preview

Coordinates	7045119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H62 N2 O Yb
Calculated formula	C49 H62 N2 O Yb
SMILES	[Yb]123456789([o]%10cccc%10c%10[n]1c(ccc%10)/C=N/c1c(cccc1C(C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.c1(ccccc1)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	12.0399 ± 0.0007 Å
b	14.7771 ± 0.0008 Å
c	24.3929 ± 0.0014 Å
α	90°
β	98.609 ± 0.001°
γ	90°
Cell volume	4291 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0531
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7045119.cif
204470	2017-12-22	cif/ Adding structures of 7045118, 7045119, 7045120, 7045121 via cif-deposit CGI script.	7045119.cif