Information card for entry 2208855

Structure parameters

• Chemical name: [1,3-Bis(diphenylphosphino)propane]tetracarbonylchromium(0)
• Formula: C31 H26 Cr O4 P2
• Calculated formula: C31 H26 Cr O4 P2
• SMILES: [Cr]1([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: [1,3-Bis(diphenylphosphino)propane]tetracarbonylchromium(0)
• Authors of publication: Shawkataly, Omar bin; Islam, Shahinoor Dulal; Fun, Hoong-Kun; Didierjean, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1086 - m1087
• a: 10.0562 ± 0.0001 Å
• b: 20.8494 ± 0.0003 Å
• c: 14.1616 ± 0.0002 Å
• α: 90°
• β: 106.418 ± 0.0007°
• γ: 90°
• Cell volume: 2848.13 ± 0.06 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes