Information card for entry 4077277

Structure parameters

• Formula: C21 H48 Cl Ir Sb2
• Calculated formula: C21 H48 Cl Ir Sb2
• SMILES: [IrH]12([Sb](C(C)C)(C(C)C)C(C)C)([Sb](C(C)C)(C(C)C)C(C)C)(Cl)[CH2]=[CH]1C2
• Title of publication: Square-Planar Bis(triisopropylstibine)(olefin)iridium(I) Complexes and Their Rearrangement to (η3-Allyl)hydridoiridium(III) Isomers
• Authors of publication: Ortmann, Dagmara A.; Gevert, Olaf; Laubender, Matthias; Werner, Helmut
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1776
• a: 42.065 ± 0.01 Å
• b: 8.7348 ± 0.0009 Å
• c: 14.658 ± 0.003 Å
• α: 90°
• β: 93.631 ± 0.009°
• γ: 90°
• Cell volume: 5375 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.0662
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No