Information card for entry 4348911

Structure parameters

• Formula: C28 H41 B16 Co Cu P
• Calculated formula: C28 H41 B16 Co Cu P
• SMILES: [Co]123456789%10[CH]%11%12[CH]%13%14[BH]%15%164[BH]4%171[BH]1%183([BH]32%11[BH]2%12%13[BH]%11%14%16[BH]%1541[BH]%1832%11)[Cu]1%10%17([BH]236[BH]4681[BH]187[CH]75[CH]5%10[BH]%1193[BH]324[BH]2%10%11[BH]175[BH]6832)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Distorted commo-Cobaltacarboranes Based on the 5,6-Dicarba-nido-decaborane(12): The First Bimetal Cobalt-Copper Zwitterion-Containing Cluster with Four (B-H)₄···Cu Bonds Not Showing Fluxional Behavior in Solution.
• Authors of publication: Balagurova, Elena V.; Pisareva, Irina V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Godovikov, Ivan A.; Chizhevsky, Igor T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11193 - 11200
• a: 10.3124 ± 0.0005 Å
• b: 29.0028 ± 0.0014 Å
• c: 12.2419 ± 0.0006 Å
• α: 90°
• β: 108.778 ± 0.001°
• γ: 90°
• Cell volume: 3466.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No