Information card for entry 7032307

Structure parameters

• Common name: [RuBr(NO)2(PPh3)2]BF4
• Formula: C36 H30 B Br F4 N2 O2 P2 Ru
• Calculated formula: C36 H30 B Br F4 N2 O2 P2 Ru
• SMILES: [Ru](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(N=O)N=O.[B](F)(F)(F)[F-]
• Title of publication: NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.
• Authors of publication: Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13278 - 13292
• a: 19.2932 ± 0.0003 Å
• b: 9.9662 ± 0.0001 Å
• c: 20.7107 ± 0.0003 Å
• α: 90°
• β: 116.937 ± 0.001°
• γ: 90°
• Cell volume: 3550.2 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031652
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No