Information card for entry 7007061

Structure parameters

• Formula: C24 H38 Br P Se
• Calculated formula: C24 H38 Br P Se
• SMILES: C1(CCCCC1)[P+](C1CCCCC1)(C1CCCCC1)[Se]c1ccccc1.[Br-]
• Title of publication: Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.
• Authors of publication: Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 12
• Pages of publication: 1517 - 1523
• a: 10.1891 ± 0.0004 Å
• b: 16.3115 ± 0.0006 Å
• c: 14.8944 ± 0.0006 Å
• α: 90°
• β: 105.165 ± 0.002°
• γ: 90°
• Cell volume: 2389.24 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No