Information card for entry 4077825

Structure parameters

• Formula: C23 H26 B9 Cu O3 P Re
• Calculated formula: C23 H26 B9 Cu O3 P Re
• SMILES: [Re]12345(C#[O])(C#[O])(C#[O])[CH]678[CH]9%101[BH]1%112[B]2%12%133([H][Cu]5%13[P](c3ccccc3)(c3ccccc3)c3ccccc3)[BH]346[BH]457[BH]689[BH]7%101[BH]1%112[BH]%1234[BH]5671
• Title of publication: Studies with the Rhenacarborane Cs[Re(CO)3(η5-7,8-C2B9H11)]: Surprising Reactivity with a Range of Metal Ligand Fragments†
• Authors of publication: Ellis, Dianne D.; Jelliss, Paul A.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4982
• a: 9.2246 ± 0.002 Å
• b: 13.0494 ± 0.0013 Å
• c: 13.5816 ± 0.0016 Å
• α: 63.439 ± 0.007°
• β: 84.281 ± 0.014°
• γ: 70.141 ± 0.012°
• Cell volume: 1372.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for all reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0371
• Goodness-of-fit parameter for all reflections: 0.905
• Goodness-of-fit parameter for significantly intense reflections: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No