Information card for entry 7010455

Structure parameters

• Chemical name: [h^5^-1-(diphenyl(h^5^-flyoren-9-yl)silyl)-cyclopentadienyl]- dichloro-hafnium dichlormethane solvate
• Formula: C31 H24 Cl4 Hf Si
• Calculated formula: C31 H24 Cl4 Hf Si
• SMILES: [Hf]123456789(Cl)(Cl)[c]%10([Si]([c]%115[c]56[c]7(cccc5)[c]58[c]9%11cccc5)(c5ccccc5)c5ccccc5)[cH]1[cH]2[cH]3[cH]4%10.C(Cl)Cl
• Title of publication: ansa-Metallocenes with a Ph2Si bridge: molecular structures of HfCl2[Ph2Si(η5-C13H8)(η5-C5H4)] and HfCl2[Ph2Si(C13H9)(η5-C5H4)]2
• Authors of publication: Vyacheslav V. Izmer; Anton Y. Agarkov; Valentina M. Nosova; Lyudmila G. Kuz'mina; Judith A. K. Howard; Irina P. Beletskaya; Alexander Z. Voskoboynikov
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1131 - 1136
• a: 11.083 ± 0.0002 Å
• b: 8.9801 ± 0.0002 Å
• c: 28.7654 ± 0.0006 Å
• α: 90°
• β: 101.096 ± 0.001°
• γ: 90°
• Cell volume: 2809.4 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1679
• Weighted residual factors for significantly intense reflections: 0.1348
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No