Information card for entry 7047955

Structure parameters

• Formula: C42 H73 Cl5 Ga O2 P5 Ru2
• Calculated formula: C42 H73 Cl5 Ga 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: 9.5596 ± 0.0003 Å
• b: 32.7266 ± 0.0013 Å
• c: 16.3335 ± 0.0005 Å
• α: 90°
• β: 94.033 ± 0.003°
• γ: 90°
• Cell volume: 5097.3 ± 0.3 ų
• Cell temperature: 106.5 ± 0.6 K
• Ambient diffraction temperature: 106.5 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No