Information card for entry 4063213

Structure parameters

• Chemical name: {(C5Me5)Ir2B4H10
• Formula: C20 H40 B4 Ir2
• Calculated formula: C20 H40 B4 Ir2
• SMILES: [BH]123[BH2][IrH]456782([H]1)([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)[BH]1([BH2]2)[H][IrH]45673812[c]1([c]4([c]5([c]6([c]71C)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: 8.7599 ± 0.0007 Å
• b: 8.7599 ± 0.0007 Å
• c: 30.4203 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2334.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.0968
• Goodness-of-fit parameter for all reflections: 1.112
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No