Information card for entry 4108985

Structure parameters

• Formula: C20 H30 Zn2
• Calculated formula: C20 H30 Zn2
• SMILES: [Zn]1234([Zn]5678[c]9([c]8([c]5([c]7([c]69C)C)C)C)C)[c]5([c]2([c]3([c]1([c]45C)C)C)C)C
• Title of publication: Zinc-Zinc Bonded Zincocene Structures. Synthesis and Characterization of Zn2(η5-C5Me5)2 and Zn2(η5-C5Me4Et)2
• Authors of publication: Abdessamad Grirrane; Irene Resa; Amor Rodriguez; Ernesto Carmona; Eleuterio Alvarez; Enrique Gutierrez-Puebla; Angeles Monge; Agustín Galindo; Diego del Río; Richard A. Andersen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 693 - 703
• a: 6.9329 ± 0.0003 Å
• b: 10.8831 ± 0.0005 Å
• c: 13.8384 ± 0.0007 Å
• α: 109.777 ± 0.001°
• β: 101.603 ± 0.001°
• γ: 94.201 ± 0.001°
• Cell volume: 951.09 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No