Information card for entry 4066457

Structure parameters

• Formula: C22 H26 Cl2 Hf
• Calculated formula: C22 H26 Cl2 Hf
• SMILES: [Hf]12345678(Cl)(Cl)([c]9([cH]1[cH]2[cH]3[cH]49)/C=C/C=C/CC)[c]1([cH]5[cH]6[cH]7[cH]81)/C=C/C=C/CC
• Title of publication: Dynamic Topochemical Reaction Control−A Principle and Its Application inansa-Metallocene Synthesis†
• Authors of publication: Greger, Ingo; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3210
• a: 27.612 ± 0.0007 Å
• b: 6.6102 ± 0.0002 Å
• c: 12.0125 ± 0.0003 Å
• α: 90°
• β: 103.162 ± 0.002°
• γ: 90°
• Cell volume: 2134.93 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No