Information card for entry 4064929

Structure parameters

• Formula: C40 H60 Ni Zn3
• Calculated formula: C40 H60 Ni Zn3
• SMILES: [Zn]1234([Ni]5678([Zn]9%10%11%12[c]%13([c]%12([c]9([c]%10([c]%11%13C)C)C)C)C)([Zn]9%10%11%12[c]%13([c]9([c]%10([c]%11([c]%12%13C)C)C)C)C)[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: Reactivity of [Zn2Cp*2] toward Transition-Metal Complexes: Synthesis and Characterization of [Cp*M(ZnCp*)3] (M = Ni, Pd, Pt)
• Authors of publication: Bollermann, Timo; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W.; Fischer, Roland A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4123
• a: 11.0041 ± 0.0007 Å
• b: 11.0846 ± 0.0008 Å
• c: 16.8992 ± 0.0012 Å
• α: 94.025 ± 0.006°
• β: 92.167 ± 0.006°
• γ: 113.805 ± 0.007°
• Cell volume: 1876.3 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0778
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No