Information card for entry 7108997

Structure parameters

• Formula: C30 H50 Hf N2 P2 S
• Calculated formula: C30 H50 Hf N2 P2 S
• SMILES: [Hf]12([S](CCN1P(C(C)C)C(C)C)CCN2P(C(C)C)C(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Activation of CO2 by phosphinoamide hafnium complexes
• Authors of publication: Michael J. Sgro; Douglas W. Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2610
• a: 29.761 ± 0.002 Å
• b: 10.3371 ± 0.0007 Å
• c: 20.9993 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6460.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No