Information card for entry 7009818

Structure parameters

• Formula: C40 H41 B10 Cu Mo O3 P2
• Calculated formula: C40 H41 B10 Cu Mo O3 P2
• SMILES: [Mo]1234(C#[O])(C#[O])(C#[O])([P](c5ccccc5)(c5ccccc5)c5ccccc5)[CH]567[BH]891[B]1%10%11%122[BH]2%133[BH]345[BH]45%13[B]%13%14%15%112[B]2%119%10([BH]968[BH]734[BH]5%1429)[H][Cu]%12%15%11([H]1)([H]%13)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Contemporary bimetallic molecules: an unusual class of exo-closo metallacarbaboranes having no metal‒metal bonds
• Authors of publication: Ellis, Dianne D.; Franken, Andreas; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2509
• a: 11.702 ± 0.0012 Å
• b: 12.1224 ± 0.0008 Å
• c: 16.203 ± 0.002 Å
• α: 92.074 ± 0.009°
• β: 104.602 ± 0.01°
• γ: 106.685 ± 0.007°
• Cell volume: 2115.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No