Information card for entry 7037745

Structure parameters

• Formula: C49 H42 Cl2 F3 O5 P3 Ru S
• Calculated formula: C49 H42 Cl2 F3 O5 P3 Ru S
• Title of publication: A straightforward access to ruthenium-coordinated fluorophosphines from phosphorous oxyacids.
• Authors of publication: Delgado Calvo, Fuencisla; Mirabello, Vincenzo; Caporali, Maria; Oberhauser, Werner; Raltchev, Kolio; Karaghiosoff, Konstantin; Peruzzini, Maurizio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2284 - 2293
• a: 12.5099 ± 0.0002 Å
• b: 13.2579 ± 0.0002 Å
• c: 28.0827 ± 0.0006 Å
• α: 90°
• β: 96.283 ± 0.002°
• γ: 90°
• Cell volume: 4629.68 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No