Information card for entry 4075325

Structure parameters

• Formula: C30 H54 B5 Ir Ru2
• Calculated formula: C30 H54 B5 Ir Ru2
• SMILES: [IrH]1234567([c]8([c]2([c]5(C)[c]1([c]38C)C)C)C)[BH]12[Ru]3589%10%11([H][Ru]%12%13%14%15%16%17%18([c]%20(C)[c]%15([c]%13(C)[c]%14([c]%12%20C)C)C)[BH]%134([BH]619[BH]%10%17%13)[BH]7%18[H]%16)([c]1([c]%11([c]8([c]5([c]31C)C)C)C)C)[H]2
• Title of publication: Novel Approach to Multimetal Metallaborane Clusters. Synthesis of Hypoelectronicnido-Cp*3IrRu2B5H9from the Reaction ofarachno-Cp*IrB3H9withnido-(Cp*RuH)2B3H7
• Authors of publication: Mavunkal, Ipe J.; Noll, Bruce C.; Meijboom, Reinout; Muller, Alfred; Fehlner, Thomas P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 2906
• a: 12.859 ± 0.0006 Å
• b: 15.3673 ± 0.0008 Å
• c: 17.4863 ± 0.0009 Å
• α: 93.805 ± 0.002°
• β: 100.624 ± 0.002°
• γ: 103.744 ± 0.002°
• Cell volume: 3276.9 ± 0.3 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 significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No