Information card for entry 4330350

Structure parameters

• Common name: [(HPNPRu(NH3)(H2NNH2)]Cl(BF4) (5)
• Formula: C17 H46 B Cl3 F4 N4 P2 Ru
• Calculated formula: C17 H46 B Cl3 F4 N4 P2 Ru
• Title of publication: Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia
• Authors of publication: Sergio S. Rozenel; John Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9730 - 9739
• a: 9.2003 ± 0.0002 Å
• b: 15.0373 ± 0.0004 Å
• c: 20.8396 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883.11 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No