Information card for entry 7118380

Structure parameters

• Formula: C20 H37 B7 Ir2
• Calculated formula: C20 H37 B7 Ir2
• Title of publication: Hypoelectronic isomeric diiridaboranes [(Cp*Ir)2B6H6]: the "Rule-Breakers"(Cp* = η(5)-C5Me5).
• Authors of publication: Borthakur, Rosmita; Mondal, Bijan; Nandi, Purbasha; Ghosh, Sundargopal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3199 - 3202
• a: 9.1768 ± 0.0002 Å
• b: 9.2116 ± 0.0002 Å
• c: 16.3496 ± 0.0004 Å
• α: 99.379 ± 0.001°
• β: 101.76 ± 0.001°
• γ: 102.741 ± 0.001°
• Cell volume: 1288.09 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0427
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No