Information card for entry 7045510

Structure parameters

• Formula: C25 H22 Br12 P2 Se2
• Calculated formula: C25 H22 Br12 P2 Se2
• SMILES: Br[P+](C[P+](Br)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br]1[Se](Br)([Br][Se]1(Br)(Br)[Br]Br)(Br)(Br)Br
• Title of publication: Bromination and iodination of diphosphane dichalcogenides.
• Authors of publication: Upmann, Daniel; Jones, Peter G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2748 - 2758
• a: 9.6944 ± 0.0007 Å
• b: 11.7111 ± 0.0008 Å
• c: 17.8163 ± 0.0006 Å
• α: 88.036 ± 0.004°
• β: 77.486 ± 0.004°
• γ: 78.064 ± 0.006°
• Cell volume: 1931.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No