Information card for entry 4070700

Structure parameters

• Formula: C38.5 H58 F3 N5 O4 S Si2 Zr
• Calculated formula: C38.5 H58 F3 N5 O4 S Si2 Zr
• Title of publication: A Zirconium (1-Pyridinio)imido Complex: Facile N−N Bond Cleavage and N−C Bond Formation
• Authors of publication: Herrmann, Heike; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 172
• a: 9.9979 ± 0.0006 Å
• b: 13.3201 ± 0.0009 Å
• c: 18.538 ± 0.0011 Å
• α: 92.16 ± 0.001°
• β: 103.483 ± 0.001°
• γ: 110.444 ± 0.001°
• Cell volume: 2230.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No