Information card for entry 4067755

Structure parameters

• Formula: C17 H42 B18 Cl2 Ir2
• Calculated formula: C17 H42 B18 Cl2 Ir2
• SMILES: [Ir]123456789[C]%10%11%12([C]%13%141([BH]1%15%12[BH]%12%16%11[BH]%112%10[B]2%104([BH]43%13[BH]3%14%15[BH]%131%16[BH]%12%112[BH]%1043%13)[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.ClCCl
• 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: 12.3498 ± 0.0005 Å
• b: 18.0535 ± 0.0007 Å
• c: 14.1564 ± 0.0006 Å
• α: 90°
• β: 108.799 ± 0.001°
• γ: 90°
• Cell volume: 2987.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No