Information card for entry 4335260

Structure parameters

• Formula: C11 H26 F9 Fe N6 O14 Ru S3
• Calculated formula: C11 H26 F9 Fe N6 O14 Ru S3
• Title of publication: 140 H/D Isotopomers Identified by Long-Range NMR Hyperfine Shifts in Ruthenium(III) Ammine Complexes. Hyperconjugation in Ru-NH3 Bonding
• Authors of publication: W. Michael Laidlaw; Robert G. Denning; Jennifer C. Green; Jonathan Boyd; Jeffrey Harmer; Amber L. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7280 - 7294
• a: 7.9846 ± 0.0001 Å
• b: 13.3099 ± 0.0002 Å
• c: 14.6247 ± 0.0003 Å
• α: 96.5999 ± 0.0007°
• β: 91.526 ± 0.0007°
• γ: 91.9869 ± 0.0009°
• Cell volume: 1542.27 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No