Information card for entry 4330352

Structure parameters

• Common name: [(HPNP)Ru(H2)]2(BF4)2 (7)
• Formula: C33 H80 B2 Cl4 F8 N2 P4 Ru2
• Calculated formula: C33 H80 B2 Cl4 F8 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: 16.2143 ± 0.0006 Å
• b: 16.7728 ± 0.0007 Å
• c: 18.0133 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4898.9 ± 0.3 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: 0.0437
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No