Information card for entry 4087463

Structure parameters

• Formula: C17 H26 B7 Ir
• Calculated formula: C17 H26 B7 Ir
• SMILES: [Ir]12345678([C]9%10([CH]%11%122[BH]2%135[CH]51[BH]1%144[BH]439[BH]3%10%11[BH]9%12%13[BH]251[BH]%14439)c1ccccc1)[CH]1=[CH]6CC[CH]7=[CH]8CC1
• 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: 6.6522 ± 0.001 Å
• b: 12.267 ± 0.002 Å
• c: 13.771 ± 0.002 Å
• α: 115.26 ± 0.006°
• β: 93.055 ± 0.007°
• γ: 93.212 ± 0.007°
• Cell volume: 1011 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0165
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No