Information card for entry 4063212

Structure parameters

• Chemical name: {(C5Me5)Ir}2B4H8
• Formula: C20 H38 B4 Ir2
• Calculated formula: C20 H38 B4 Ir2
• SMILES: [Ir]123456789([H][Ir]%10%11%12%13%141([BH]12[H][BH]231[BH]14([H]2)[BH]5%10[H]1)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Utilization of Transition-Metal Properties To Control Polyborane Formation. Synthesis of the arachno-Diiridahexaborane(12) 2,5-{Cp*IrH}2B4H8 and Its Conversion to the nido-Diiridahexaborane(10) 1,2-{Cp*Ir}2(-H)B4H7 (Cp* =5-C5Me5)
• Authors of publication: Xinjian Lei; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Pages of publication: 118 - 120
• a: 8.3011 ± 0.0014 Å
• b: 19.742 ± 0.003 Å
• c: 14.552 ± 0.003 Å
• α: 90°
• β: 93.448 ± 0.015°
• γ: 90°
• Cell volume: 2380.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0551
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No