Information card for entry 7037959

Structure parameters

• Formula: C27 H39 Cl N3 P Si3 Zr
• Calculated formula: C27 H39 Cl N3 P Si3 Zr
• SMILES: [Zr]123(Cl)[P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)C[Si](N3c1ccccc1)(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: 8.92072 ± 0.00007 Å
• b: 17.53308 ± 0.00017 Å
• c: 21.06985 ± 0.00016 Å
• α: 90°
• β: 101.866 ± 0.0007°
• γ: 90°
• Cell volume: 3225.06 ± 0.05 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No