Information card for entry 7106069

Structure parameters

• Formula: C20 H35 Co O12 P3 Re
• Calculated formula: C20 H35 Co O12 P3 Re
• SMILES: [Re]12(O[P]([Co]3456([P](O1)(OCC)OCC)([P](O2)(OCC)OCC)[cH]1[cH]6[cH]5[cH]4[cH]31)(OCC)OCC)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand
• Authors of publication: Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3123
• a: 11.4131 ± 0.0007 Å
• b: 18.4005 ± 0.0011 Å
• c: 13.6761 ± 0.0008 Å
• α: 90°
• β: 92.856 ± 0.001°
• γ: 90°
• Cell volume: 2868.5 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No