Information card for entry 4069685

Structure parameters

• Formula: C20 H23 Br Cl2 Hf
• Calculated formula: C20 H23 Br Cl2 Hf
• SMILES: [Hf]12345678(Cl)(Cl)([c]9([cH]1[c]12[c]3(cccc1Br)[cH]49)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Palladium-Catalyzed Cross-Coupling Reactions of Bromo-Substituted Group 4 Metallocenes
• Authors of publication: Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Tzarev, Alexey A.; Uborsky, Dmitry V.; Asachenko, Andrey F.; Nikulin, Mikhail V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3614
• a: 8.642 ± 0.003 Å
• b: 13.914 ± 0.004 Å
• c: 16.785 ± 0.005 Å
• α: 85.469 ± 0.006°
• β: 81.018 ± 0.006°
• γ: 89.141 ± 0.006°
• Cell volume: 1987.3 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No