Information card for entry 4077472

Structure parameters

• Formula: C26 H33 B10 Mo O4 P
• Calculated formula: C26 H33 B10 Mo O4 P
• SMILES: [Mo]1234(C#[O])(C#[O])(C#[O])([P](c5ccccc5)(c5ccccc5)c5ccccc5)[CH]567[BH]891[B]1%102([BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671)[O]1CCCC1
• Title of publication: Synthesis and Reactivity of Monocarbollide Carbonyl Complexes of Iron and Molybdenum with Icosahedral Frameworks†
• Authors of publication: Ellis, Dianne D.; Franken, Andreas; Jelliss, Paul A.; Stone, F. Gordon A.; Yu, Pui-Yin
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 1993
• a: 10.7962 ± 0.0019 Å
• b: 10.943 ± 0.003 Å
• c: 13.959 ± 0.003 Å
• α: 107.392 ± 0.015°
• β: 95.6 ± 0.02°
• γ: 100.476 ± 0.019°
• Cell volume: 1527.1 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4077470
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No