Information card for entry 4087043

Structure parameters

• Formula: C15 H32 B9 Ir S
• Calculated formula: C15 H32 B9 Ir S
• SMILES: S([B]1234[C]567([C]89%10([Ir]%11%12%13%14%1515([BH]159[BH]93%11[BH]3%114[BH]426[BH]278[BH]634[BH]%1012[BH]59%116)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)C)C)C
• Title of publication: Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)
• Authors of publication: Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 791
• a: 8.3766 ± 0.0006 Å
• b: 9.7911 ± 0.0007 Å
• c: 13.793 ± 0.001 Å
• α: 99.404 ± 0.001°
• β: 94.814 ± 0.001°
• γ: 111.858 ± 0.001°
• Cell volume: 1022.79 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No