Information card for entry 4074964

Structure parameters

• Formula: C35 H52 O4.25 Zr
• Calculated formula: C35 H48 O4.25 Zr
• Title of publication: Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide
• Authors of publication: Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1317 - 1320
• a: 13.363 ± 0.003 Å
• b: 24.786 ± 0.005 Å
• c: 21.233 ± 0.004 Å
• α: 90°
• β: 93.21 ± 0.03°
• γ: 90°
• Cell volume: 7022 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0943
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.1419
• Goodness-of-fit parameter for all reflections: 0.901
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No