Information card for entry 4335905

Structure parameters

• Formula: C88 H82 F18 K2 N14 Zr2
• Calculated formula: C88 H82 F18 K2 N14 Zr2
• SMILES: [K]123[N](N(c4ccccc4)c4ccccc4)=[Zr]4567(F)[N]1(CC(C[N]25c1c([N]4(C)C)c(F)c(c(c1[F]3)F)F)(C)c1cccc[n]71)c1c([N]6(C)C)c(F)c(F)c(c1F)F.c1(ccccc1)C
• Title of publication: Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes
• Authors of publication: Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10158 - 10166
• a: 10.2101 ± 0.0001 Å
• b: 13.21438 ± 0.00013 Å
• c: 16.79443 ± 0.00015 Å
• α: 93.1084 ± 0.0008°
• β: 95.7719 ± 0.0008°
• γ: 111.007 ± 0.0009°
• Cell volume: 2094.62 ± 0.04 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No