Information card for entry 4069010

Structure parameters

• Common name: 1a
• Formula: C24 H25 Cl2 F2 N2 Ta
• Calculated formula: C24 H25 Cl2 F2 N2 Ta
• SMILES: [Ta]12345(Cl)(Cl)([N](=CC=[N]1c1ccc(F)cc1)c1ccc(F)cc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Tantalum−Benzylidene Complexes Supported by C5Me5and Diazadiene Ligands: Synthesis, Kinetic Analysis of the Formation, and Reactive Studies
• Authors of publication: Tsurugi, Hayato; Ohno, Takashi; Kanayama, Tsuyoshi; Arteaga-Müller, Rocío A.; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1950
• a: 20.4 ± 0.0008 Å
• b: 8.953 ± 0.0004 Å
• c: 25.0747 ± 0.001 Å
• α: 90°
• β: 97.181 ± 0.0014°
• γ: 90°
• Cell volume: 4543.8 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No