Information card for entry 4319934

Structure parameters

• Formula: C24 H54 In P3 S6
• Calculated formula: C24 H54 In P3 S6
• SMILES: P1(CC(C)C)(=[S][In]23(S1)([S]=P(CC(C)C)(CC(C)C)S2)[S]=P(CC(C)C)(CC(C)C)S3)CC(C)C
• Title of publication: Variable Coordination Modes in Dialkyldithiophosphinato Complexes of Group 13 Metals: The X-ray Single Crystal Structures of Tris(diisobutyldithiophosphinato)gallium(III) and -indium(III)
• Authors of publication: Jin-Ho Park; Paul O'Brien; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3629 - 3631
• a: 14.551 ± 0.0013 Å
• b: 14.551 ± 0.0013 Å
• c: 30.608 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5612.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.0704
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No