Information card for entry 4108986

Structure parameters

• Formula: C22 H34 Zn2
• Calculated formula: C22 H34 Zn2
• SMILES: [Zn]1234([Zn]5678[c]9([c]5([c]6([c]7([c]89C)C)C)C)CC)[c]5([c]1([c]2([c]3([c]45C)C)C)C)CC
• 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: 7.0428 ± 0.0004 Å
• b: 10.3194 ± 0.0006 Å
• c: 14.8036 ± 0.0009 Å
• α: 86.446 ± 0.002°
• β: 89.191 ± 0.002°
• γ: 76.599 ± 0.002°
• Cell volume: 1044.58 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0833
• 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 Fobs: No