Crystallography Open Database

Information card for entry 4088784

Preview

Coordinates	4088784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H85 O3 Yb
Calculated formula	C86 H85 O3 Yb
Title of publication	Yb(II) Triple-Decker Complex with the μ-Bridging Naphthalene Dianion [CpBn5Yb(DME)]2(μ-η4:η4-C10H8). Oxidative Substitution of [C10H8]2‒ by 1,4-Diphenylbuta-1,3-diene and P4 and Protonolysis of the Yb‒C10H8 Bond by PhPH2
Authors of publication	Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Kirillov, Evgueni; Alvarez Lamsfus, Carlos; Maron, Laurent; Trifonov, Alexander A.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	14
Pages of publication	2401
a	10.2669 ± 0.0003 Å
b	15.7691 ± 0.0004 Å
c	21.403 ± 0.0006 Å
α	79.868 ± 0.001°
β	84.444 ± 0.001°
γ	74.315 ± 0.001°
Cell volume	3279.64 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
237828 (current)	2019-11-24	cif/ Adding structures of 4088780, 4088781, 4088782, 4088783, 4088784 via cif-deposit CGI script.	4088784.cif