Information card for entry 4086565

Structure parameters

• Formula: C40 H49 Hf N2 P Si2
• Calculated formula: C40 H49 Hf N2 P Si2
• SMILES: [Hf]12([P](Cc3c(N1[Si](C)(C)C)cccc3)(Cc1c(N2[Si](C)(C)C)cccc1)c1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities
• Authors of publication: Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 13
• Pages of publication: 2294
• a: 10.25124 ± 0.00015 Å
• b: 39.7877 ± 0.0005 Å
• c: 10.27791 ± 0.00015 Å
• α: 90°
• β: 117.901 ± 0.0019°
• γ: 90°
• Cell volume: 3704.8 ± 0.11 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.315
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No