Crystallography Open Database

Information card for entry 4080119

Preview

Coordinates	4080119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H97 N4 P Yb2
Calculated formula	C70 H97 N4 P Yb2
SMILES	C1(=N[c]23[c]4([cH]5[Yb]67824([H][Yb]249%10%11%12([P]6(c6ccccc6)c6ccccc6)[c]6([c]2([cH]4[cH]%10[cH]%11[c]%126C(C)C)C(C)C)N=C(N9c2c(cccc2C(C)C)C(C)C)C(C)(C)C)(N1c1c(cccc1C(C)C)C(C)C)[cH]5[cH]7[c]38C(C)C)C(C)C)C(C)(C)C
Title of publication	Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond
Authors of publication	Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1507
a	15.29584 ± 0.00019 Å
b	21.1987 ± 0.0003 Å
c	19.8807 ± 0.0003 Å
α	90°
β	90.6024 ± 0.0012°
γ	90°
Cell volume	6446 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080119.cif
76872	2013-03-21	cif/ Adding structures of 4080116, 4080117, 4080118, 4080119, 4080120 via cif-deposit CGI script.	4080119.cif