Information card for entry 1568047

Structure parameters

• Chemical name: [Hf(Cp'')2Cl2]
• Formula: C22 H42 Cl2 Hf Si4
• Calculated formula: C22 H42 Cl2 Hf Si4
• SMILES: C[Si](C)(C)[c]12[cH]3[cH]4[c]5([cH]1[Hf]16782345(Cl)([c]2([cH]1[cH]6[c]7([cH]82)[Si](C)(C)C)[Si](C)(C)C)Cl)[Si](C)(C)C
• Title of publication: Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
• Authors of publication: Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 621 - 634
• a: 17.8746 ± 0.0012 Å
• b: 9.0854 ± 0.0005 Å
• c: 18.3865 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2985.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No