Information card for entry 4087462

Structure parameters

• Formula: C17 H26 B7 Rh
• Calculated formula: C17 H26 B7 Rh
• SMILES: [Rh]123456([C]78([CH]9%10[BH]%11%12[CH]%131[BH]1%143[BH]327[BH]289[BH]7%10%12[BH]%11%131[BH]%14327)c1ccccc1)[CH]1=[CH]4CC[CH]5=[CH]6CC1
• Title of publication: Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes
• Authors of publication: Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1396
• a: 16.5192 ± 0.0019 Å
• b: 12.4153 ± 0.0015 Å
• c: 19.305 ± 0.002 Å
• α: 90°
• β: 111.525 ± 0.006°
• γ: 90°
• Cell volume: 3683.1 ± 0.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No