Information card for entry 4330348

Structure parameters

• Common name: [(HPNPRuCl)2(H2NNH2)](BF4)2 (3b)
• Formula: C32 H78 B2 Cl2 F8 N4 P4 Ru2
• Calculated formula: C32 H78 B2 Cl2 F8 N4 P4 Ru2
• 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: 13.171 ± 0.005 Å
• b: 18.485 ± 0.005 Å
• c: 40.465 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9852 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No