Information card for entry 4301320

Structure parameters

• Formula: C66 H61 F6 O9 P7 Ru2 S2
• Calculated formula: C66 H61 F6 O9 P7 Ru2 S2
• Title of publication: Getting a Clue to the Hydrolytic Activation of White Phosphorus: The Generation and Stabilization of P(OH)2PHPHPH(OH) at Ruthenium Centers
• Authors of publication: Pierluigi Barbaro; Massimo Di Vaira; Maurizio Peruzzini; Stefano Seniori Costantini; Piero Stoppioni
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1091 - 1096
• a: 14.493 ± 0.001 Å
• b: 18.021 ± 0.001 Å
• c: 26.931 ± 0.002 Å
• α: 90°
• β: 91.64 ± 0.01°
• γ: 90°
• Cell volume: 7030.9 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No