Information card for entry 4311425

Structure parameters

• Formula: C43 H38 In P3 Se6
• Calculated formula: C43 H38 In P3 Se6
• SMILES: [In]123([Se]=P([Se]1)(c1ccccc1)c1ccccc1)([Se]=P([Se]2)(c1ccccc1)c1ccccc1)[Se]=P([Se]3)(c1ccccc1)c1ccccc1.Cc1ccccc1
• Title of publication: Coordination Chemistry of Diselenophosphinate Complexes: The X-ray Single-Crystal Structures of [K(Se2PPh2)(THF)2]2 and [In(Se2PPh2)3].L (L = THF, PhMe)
• Authors of publication: Robert P. Davies; Claire V. Francis; Andrew P. S. Jurd; M. Giovanna Martinelli; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4802 - 4804
• a: 12.85 ± 0.0015 Å
• b: 15.427 ± 0.002 Å
• c: 22.395 ± 0.002 Å
• α: 90°
• β: 98.512 ± 0.009°
• γ: 90°
• Cell volume: 4390.6 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.0789
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No