Information card for entry 7037962

Structure parameters

• Formula: C31 H50 Hf N3 P Si4
• Calculated formula: C31 H50 Hf N3 P Si4
• SMILES: [Hf]123([P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)C[Si](N3c1ccccc1)(C)C)C[Si](C)(C)C
• Title of publication: Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.
• Authors of publication: Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3013 - 3023
• a: 13.187 ± 0.006 Å
• b: 17.538 ± 0.007 Å
• c: 15.841 ± 0.006 Å
• α: 90°
• β: 106.018 ± 0.007°
• γ: 90°
• Cell volume: 3521 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No