Information card for entry 4318046

Structure parameters

• Chemical name: [TpRu(PMe3)2NH2Ph][OTf] (4).
• Formula: C22 H34 B F3 N7 O3 P2 Ru S
• Calculated formula: C22 H34 B F3 N7 O3 P2 Ru S
• Title of publication: Influence of Filled dπ-Manifold and L/L' Ligands on the Structure, Basicity, and Bond Rotations of the Octahedral and d6 Amido Complexes TpRu(L)(L')(NHPh) (Tp = Hydridotris(pyrazolyl)borate; L = L' = PMe3or P(OMe)3, or L = CO and L' = PPh3): Solid-State Structures of [TpRu(PMe3)2(NH2Ph)][OTf], [TpRu{P(OMe)3}2(NH2Ph)][OTf], and TpRu{P(OMe)3}2(NHPh)
• Authors of publication: David Conner; K. N. Jayaprakash; T. Brent Gunnoe; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3042 - 3049
• a: 9.4185 ± 0.001 Å
• b: 11.9282 ± 0.0014 Å
• c: 14.0374 ± 0.001 Å
• α: 91.844 ± 0.013°
• β: 93.045 ± 0.013°
• γ: 106.552 ± 0.008°
• Cell volume: 1507.7 ± 0.3 ų
• Cell temperature: 148 K
• Ambient diffraction temperature: 148 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 3.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No