Information card for entry 4072720

Structure parameters

• Formula: C24 H36 B9 Rh
• Calculated formula: C24 H36 B9 Rh
• SMILES: [Rh]123456([C]78([BH]9%102[BH]2%117[BH]7%128[C]81([BH]1%133[BH]349[BH]4%102[BH]2%117[BH]%1281[BH]%13342)c1ccc(cc1)C)c1ccc(cc1)C)[CH]1=[CH]5C6CCCCC1
• Title of publication: Synthesis of 16-Electron (η3-Cyclooctenyl)metallacarboranes of Rhodium(III) and Iridium(III) with the New Sterically Demanding [(4‘-MeC6H4)2C2B9H9]2-Carborane Ligand. Molecular Structures of [3-{(1−3-η3)-C8H13}-1,2-(4‘-MeC6H4)2-3,1,2-pseudocloso-MC2B9H9] (M = Rh, Ir) and [(η6-MeC6H4)Rh(C2B9H9C6H4Me)Rh(η4-C8H12)]2, a Dimeric Byproduct Containing Distorted 13-Vertex {4,9,1,10-Rh2C2B9} Cluster Units
• Authors of publication: Alekseev, Leonid S.; Dolgushin, Fedor M.; Korlyukov, Alexander A.; Godovikov, Ivan A.; Vorontsov, Evgenii V.; Chizhevsky, Igor T.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3868
• a: 9.0203 ± 0.0003 Å
• b: 17.9386 ± 0.0006 Å
• c: 15.9726 ± 0.0005 Å
• α: 90°
• β: 100.601 ± 0.001°
• γ: 90°
• Cell volume: 2540.44 ± 0.14 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: 0.0314
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No