Information card for entry 4072611

Structure parameters

• Formula: C56 H56 Ni O P2 Si Zr
• Calculated formula: C56 H56 Ni O P2 Si Zr
• Title of publication: Synthesis ofansa-Dimethylsilanediyl−dicyclopentadienyl− zirconacyclopent-3-yne, Me2Si(η5-C5H4)2Zr(η4-H2C4H2), and Its Reactions with Ni(0) and B(C6F5)3†
• Authors of publication: Beweries, Torsten; Bach, Marc A.; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 241
• a: 10.983 ± 0.002 Å
• b: 15.046 ± 0.003 Å
• c: 16.135 ± 0.003 Å
• α: 66.34 ± 0.03°
• β: 83.28 ± 0.03°
• γ: 81.07 ± 0.03°
• Cell volume: 2408.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No