Information card for entry 7103838

Structure parameters

• Formula: C54 H52 Cl8 Ga2 P4
• Calculated formula: C54 H52 Cl8 Ga2 P4
• SMILES: C(CCCCC[P+](P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P+](P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ga]([Cl-])(Cl)(Cl)Cl.[Ga](Cl)([Cl-])(Cl)Cl
• Title of publication: Homoatomic P → P coordination: A versatile synthetic approach to polyphosphorus dications
• Authors of publication: Burford, Neil; Ragogna, Paul J.; McDonald, Robert; Ferguson, Michael J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2066 - 2067
• a: 30.395 ± 0.004 Å
• b: 10.1195 ± 0.0012 Å
• c: 19.465 ± 0.002 Å
• α: 90°
• β: 105.829 ± 0.002°
• γ: 90°
• Cell volume: 5760.2 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No