Information card for entry 7031661

Structure parameters

• Common name: [RuI(NO)2(PCy3)2]BF4
• Formula: C36 H66 B F4 I N2 O2 P2 Ru
• Calculated formula: C36 H66 B F4 I N2 O2 P2 Ru
• SMILES: I[Ru](N=O)(N=O)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[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: 29.645 ± 0.003 Å
• b: 14.4732 ± 0.0009 Å
• c: 20.678 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8872.1 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No