Information card for entry 4341123

Structure parameters

• Formula: C33 H56 Ni2 Zn8
• Calculated formula: C33 H56 Ni2 Zn8
• Title of publication: Hume-Rothery Phase-Inspired Metal-Rich Molecules: Cluster Expansion of [Ni(ZnMe)6(ZnCp*)2] by Face Capping with Ni(0)(η(6)-toluene) and Ni(I)(η(5)-Cp*).
• Authors of publication: Molon, Mariusz; Gemel, Christian; Jerabek, Paul; Trombach, Lukas; Frenking, Gernot; Fischer, Roland A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10403 - 10411
• a: 11.5255 ± 0.0006 Å
• b: 15.5222 ± 0.0007 Å
• c: 12.2666 ± 0.0006 Å
• α: 90°
• β: 116.007 ± 0.006°
• γ: 90°
• Cell volume: 1972.29 ± 0.19 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No