Information card for entry 4067010

Structure parameters

• Formula: C38 H28 O8 Ru3
• Calculated formula: C38 H28 O8 Ru3
• SMILES: C(#[O])[Ru]12345(C(=O)[Ru]6781(C#[O])(C#[O])[C]13(=[C]37([C]78(=[C]46(c4ccccc4)[Ru]5137(C2=O)(C#[O])C#[O])C1=CC(=C(C1)C)C)C1=CC(=C(C1)C)C)c1ccccc1)C#[O]
• Title of publication: Alkyne-Functionalized Zirconocene Complexes: Synthesis, Structures, and Reactivities
• Authors of publication: Li, Minxiong; Song, Haibin; Xu, Shansheng; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6092
• a: 18.429 ± 0.002 Å
• b: 21.069 ± 0.003 Å
• c: 8.9515 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3475.7 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No