Information card for entry 4330349

Structure parameters

• Common name: [(HPNPRuCl)2(PhNNH)](BF4)2 (4)
• Formula: C38 H80 B2 Cl2 F8 N4 P4 Ru2
• Calculated formula: C38 H80 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: 10.1804 ± 0.0006 Å
• b: 27.0385 ± 0.0018 Å
• c: 18.0234 ± 0.0011 Å
• α: 90°
• β: 93.132 ± 0.003°
• γ: 90°
• Cell volume: 4953.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No