Information card for entry 7110818

Structure parameters

• Formula: C31 H62 Cl2 Hf N2 P2 Si2
• Calculated formula: C31 H62 Cl2 Hf N2 P2 Si2
• SMILES: [Hf]12(Cl)(Cl)[N](=P(C2=P(N1[Si](C)(C)C)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[Si](C)(C)C
• Title of publication: The first hafnium methandiide complexes: the assembly of an entire triad of group 4 metal ‘pincer’ bis(phosphinimine) complexes possessing the MC carbene‒ylide structure
• Authors of publication: Kamalesh Babu, Ruppa P.; Cavell, Ronald G.; McDonald, Robert
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 481
• a: 10.3572 ± 0.0007 Å
• b: 20.8156 ± 0.001 Å
• c: 17.8865 ± 0.001 Å
• α: 90°
• β: 93.226 ± 0.005°
• γ: 90°
• Cell volume: 3850.1 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1148
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No