Information card for entry 4077433

Structure parameters

• Formula: C45.5 H48 Zr
• Calculated formula: C45.5 H47.5 Zr
• Title of publication: Synthesis and Structural Investigation of Stable Zirconacyclopentanes Which Bear Additional Functional Groups
• Authors of publication: Sun, Hongsui; Burlakov, Vladimir V.; Spannenberg, Anke; Baumann, Wolfgang; Arndt, Perdita; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 25
• Pages of publication: 5472
• a: 17.71 ± 0.004 Å
• b: 10.058 ± 0.002 Å
• c: 19.471 ± 0.004 Å
• α: 90°
• β: 93.78 ± 0.03°
• γ: 90°
• Cell volume: 3460.8 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.1148
• Goodness-of-fit parameter for all reflections: 0.947
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No