Information card for entry 4318088

Structure parameters

• Formula: C37 H35 Cl6 F6 N3 O7 P2 Ru S2
• Calculated formula: C37 H35 Cl6 F6 N3 O7 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: 12.2606 ± 0.0003 Å
• b: 13.8259 ± 0.0003 Å
• c: 29.5038 ± 0.0005 Å
• α: 90°
• β: 99.587 ± 0.001°
• γ: 90°
• Cell volume: 4931.45 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 9
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No