Information card for entry 7047956

Structure parameters

• Formula: C64 H112 O2 P8 Ru4
• Calculated formula: C64 H112 O2 P8 Ru4
• Title of publication: Ruthenium mediated halogenation of white phosphorus: synthesis and reactivity of the unprecedented P₄Cl₂ moiety.
• Authors of publication: Bispinghoff, Mark; Benkő, Zoltán; Grützmacher, Hansjörg; Calvo, Fuencisla Delgado; Caporali, Maria; Peruzzini, Maurizio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 3593 - 3600
• a: 11.9212 ± 0.0003 Å
• b: 12.4576 ± 0.0003 Å
• c: 13.0288 ± 0.0003 Å
• α: 112.29 ± 0.002°
• β: 107.073 ± 0.002°
• γ: 90.803 ± 0.002°
• Cell volume: 1694.14 ± 0.08 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No