Information card for entry 4077503

Structure parameters

• Formula: C38 H47 Cl2 Hf N3 P2 Si2
• Calculated formula: C38 H47 Cl2 Hf N3 P2 Si2
• SMILES: [Hf]12(Cl)(Cl)([N](=P(C2P(=[N]1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)Nc1ccc(cc1)C
• Title of publication: Nucleophilic Reactivity of the Multiply Bonded Carbon Center in Group 4−Pincer Bis(iminophosphorano)methanediide Complexes
• Authors of publication: Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 3462
• a: 22.7155 ± 0.0015 Å
• b: 14.2639 ± 0.0009 Å
• c: 12.4956 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4048.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No