Information card for entry 4318090

Structure parameters

• Formula: C45.5 H54 F6 N3 O7.5 P2 Ru S2
• Calculated formula: C45.5 H54 F6 N3 O7.5 P2 Ru S2
• Title of publication: Substitution Reactions of [Ru(dppe)(CO)(H2O)3][OTf]2
• Authors of publication: Matthew D. Hargreaves; Mary F. Mahon; Michael K. Whittlesey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3137 - 3145
• a: 12.1103 ± 0.0001 Å
• b: 21.9721 ± 0.0001 Å
• c: 19.6937 ± 0.0002 Å
• α: 90°
• β: 90.104 ± 0.0003°
• γ: 90°
• Cell volume: 5240.26 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No