Information card for entry 4067756

Structure parameters

• Formula: C16 H40 B18 Ir2
• Calculated formula: C16 H40 B18 Ir2
• SMILES: [Ir]123456789[C]%10%11%12([BH]%13%141[BH]1%15%10[BH]%10%16%11[BH]%112%12[BH]2%12%16[BH]%16%15%10[C]%10%141([BH]13%13[B]4%112([BH]%12%16%101)[Ir]12345([C]5%10%11([C]%12%131([BH]1%14%11[BH]%11%15%10[BH]%1025[BH]254[BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]543%12)C)C)[C]16=[CH]7CC[CH]8=[CH]9CC1)C)C
• Title of publication: Electronically-Deficient Biiridacarbaborane Clusters with a Bridging μ,η-COD Ligand
• Authors of publication: Alekseev, Leonid S.; Dolgushin, Fedor M.; Godovikov, Ivan A.; Chizhevsky, Igor T.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1707
• a: 11.6122 ± 0.0002 Å
• b: 17.8637 ± 0.0003 Å
• c: 14.1173 ± 0.0002 Å
• α: 90°
• β: 110.418 ± 0.001°
• γ: 90°
• Cell volume: 2744.46 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No