Information card for entry 2231552

Structure parameters

• Chemical name: Bis(η^5^-1-<i>tert</i>-butylindenyl)nickel(II)
• Formula: C26 H30 Ni
• Calculated formula: C26 H30 Ni
• SMILES: [c]12([c]34cccc[c]53[cH]3[cH]1[Ni]16782453[c]2([cH]1[cH]6[c]17[c]82cccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Bis(η^5^-1-<i>tert</i>-butylindenyl)nickel(II)
• Authors of publication: Bauer, Heiko; Sun, Yu; Sitzmann, Helmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1184
• a: 9.8116 ± 0.0005 Å
• b: 10.9631 ± 0.0007 Å
• c: 11.1658 ± 0.0007 Å
• α: 68.8 ± 0.006°
• β: 67.085 ± 0.005°
• γ: 85.212 ± 0.004°
• Cell volume: 1029.1 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes