Information card for entry 4330351

Structure parameters

• Common name: [(HPNPRu)2(Cl)3](BF4) (6)
• Formula: C32 H74 B Cl3 F4 N2 P4 Ru2
• Calculated formula: C32 H74 B Cl3 F4 N2 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: 25.3447 ± 0.0009 Å
• b: 25.3447 ± 0.0009 Å
• c: 14.4707 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9295.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No