Information card for entry 4344790

Structure parameters

• Formula: C34 H54 Cl3 Hf N P2
• Calculated formula: C34 H54 Cl3 Hf N P2
• SMILES: [Hf]12(Cl)(Cl)(Cl)[P](Cc3cc(cc4c5c(c(cc(c5)C(C)(C)C)C[P]1(C(C)C)C(C)C)n2c34)C(C)(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.
• Authors of publication: Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 353
• a: 25.084 ± 0.011 Å
• b: 11.776 ± 0.006 Å
• c: 26.438 ± 0.011 Å
• α: 90°
• β: 110.629 ± 0.007°
• γ: 90°
• Cell volume: 7309 ± 6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No