Information card for entry 4082275

Structure parameters

• Formula: C50 H77 O21 Re2 Si8
• Calculated formula: C50 H77 O21 Re2 Si8
• SMILES: C(#[O])[Re](C#[O])(C#[O])(C#[O])[O]([Re](C#[O])(C#[O])(C#[O])C#[O])[Si]12O[Si]3(C4CCCCC4)O[Si]4(C5CCCCC5)O[Si](C5CCCCC5)(O2)O[Si]2(C5CCCCC5)O[Si](C5CCCCC5)(O1)O[Si](C1CCCCC1)(O3)O[Si](C1CCCCC1)(O2)O4
• Title of publication: Synthesis, Spectroscopic, and X-ray Characterization of Rhenium Carbonyl Complexes with Different Silsesquioxanes, as Models That Mimic the Chemical Behavior and the Topology of the Silica Surface
• Authors of publication: Dragonetti, Claudia; Carlucci, Lucia; D'Alfonso, Giuseppe; Lucenti, Elena; Macchi, Piero; Roberto, Dominique; Sironi, Angelo; Ugo, Renato
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2668 - 2676
• a: 16.628 ± 0.005 Å
• b: 21.022 ± 0.005 Å
• c: 21.85 ± 0.005 Å
• α: 111.662 ± 0.005°
• β: 99.928 ± 0.005°
• γ: 96.807 ± 0.005°
• Cell volume: 6852 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4068629
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No