Information card for entry 7047958

Structure parameters

• Formula: C42.03 H73.04 Cl2 O2 P5 Ru2
• Calculated formula: C42.03 H73.045 Cl2 O2 P5 Ru2
• 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: 12.7474 ± 0.0002 Å
• b: 13.3991 ± 0.0002 Å
• c: 14.5781 ± 0.0003 Å
• α: 70.659 ± 0.001°
• β: 79.095 ± 0.001°
• γ: 88.933 ± 0.001°
• Cell volume: 2304.44 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No