Information card for entry 4116774

Structure parameters

• Common name: Compound 5
• Formula: C32 H42 Co N3 O4 Si4 Zr
• Calculated formula: C32 H42 Co N3 O4 Si4 Zr
• Title of publication: Unsupported Ti-Co and Zr-Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal-Metal Bond Polarity
• Authors of publication: Georg Jansen; Martin Schubart; Bernd Findeis; Lutz H. Gade; Ian J. Scowen; Mary McPartlin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 7239 - 7251
• a: 13.3969 ± 0.0014 Å
• b: 14.552 ± 0.002 Å
• c: 21.408 ± 0.003 Å
• α: 90°
• β: 108.1 ± 0.006°
• γ: 90°
• Cell volume: 3967 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections: 0.1325
• Weighted residual factors for significantly intense reflections: 0.0832
• Goodness-of-fit parameter for all reflections: 0.982
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No