Information card for entry 4071215

Structure parameters

• Formula: C26 H36 Hf2 P2
• Calculated formula: C26 H36 Hf2 P2
• SMILES: [Hf]123456789([P](C)(C)C)([c]%10([Hf]%11%12%13%14%15%16%17%18([P](C)(C)C)([c]%199[cH]%11[cH]%12[cH]%13[cH]%14%19)[cH]9[cH]%18[cH]%17[cH]%16[cH]%159)[cH]1[cH]2[cH]3[cH]4%10)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes
• Authors of publication: Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2570
• a: 17.472 ± 0.004 Å
• b: 22.229 ± 0.004 Å
• c: 12.832 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4983.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No