Information card for entry 2103022

Structure parameters

• Chemical name: bis(η^5^-Pentamethyl-cyclopentadienyl)-di-zinc(i)
• Formula: C20 H30 Zn2
• Calculated formula: C20 H30 Zn2
• SMILES: [Zn]1234([Zn]5678[c]9([c]5([c]6([c]7([c]89C)C)C)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Experimental and theoretical characterization of the Zn—Zn bond in [Zn~2~(η^5^-C~5~Me~5~)~2~]
• Authors of publication: Juan F. Van der Maelen Uria; Enrique Gutierrez Puebla; Angeles Monge; Santiago Garcia-Granda; Irene Resa; Ernesto Carmona; Maria Teresa Fernandez-Diaz; Garry J. McIntyre; Philip Pattison; Hans-Peter Weber
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: 862 - 868
• 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: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1779
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation type: white-beam
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No