Information card for entry 4328611

Structure parameters

• Formula: C6 Cl5 F5 Ga P5
• Calculated formula: C6 Cl5 F5 Ga P5
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[P+]1(P2P3P1P23)Cl.Cl[Ga](Cl)(Cl)[Cl-]
• Title of publication: Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron
• Authors of publication: Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3374 - 3387
• a: 6.8561 ± 0.0008 Å
• b: 8.8022 ± 0.0011 Å
• c: 14.1076 ± 0.0017 Å
• α: 90°
• β: 95.396 ± 0.002°
• γ: 90°
• Cell volume: 847.6 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No