Information card for entry 4080052

Structure parameters

• Formula: C65 H73 N9 Zr
• Calculated formula: C51 H57 N9 Zr
• SMILES: [Zr]12(N(CC(CN1c1cc(cc(c1)C)C)(C)c1[n]2cccc1)c1cc(cc(c1)C)C)(=Nn1c2ccccc2c2c1cccc2)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1
• Title of publication: Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles
• Authors of publication: Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 937
• a: 11.08162 ± 0.00014 Å
• b: 15.8271 ± 0.0002 Å
• c: 17.4213 ± 0.0002 Å
• α: 90°
• β: 106.928 ± 0.0013°
• γ: 90°
• Cell volume: 2923.13 ± 0.07 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No