Information card for entry 4077766

Structure parameters

• Chemical name: {(C5Me5Ir)2H3B2H5
• Formula: C20 H38 B2 Ir2
• Calculated formula: C20 H38 B2 Ir2
• SMILES: [IrH]1234567([IrH]89%10%11%12([BH]%131([H]%12)[BH2]2[H]%13)([H]7)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Novel Iridaboranes from the Reactions of Cp*2Ir2HxCl4-x,x= 0−2, with LiBH4. Existence of a Concurrent Reaction Channel in the Conversion of Metal Chlorides to Metal Hydrides
• Authors of publication: Lei, Xinjian; Bandyopadhyay, Ananda K.; Shang, Maoyu; Fehlner, Thomas P.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2294
• a: 8.551 ± 0.002 Å
• b: 10.306 ± 0.002 Å
• c: 14.884 ± 0.002 Å
• α: 107.113 ± 0.013°
• β: 92.554 ± 0.012°
• γ: 111.67 ± 0.02°
• Cell volume: 1147.5 ± 0.4 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: 0.0503
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.0963
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No