Information card for entry 7031662

Structure parameters

• Common name: [RuBr(NO)2(PCy3)2]BF4_EtOH_0.5(H2O)
• Formula: C38 H73 B Br F4 N2 O3.5 P2 Ru
• Calculated formula: C38 H72 B Br F4 N2 O3.5 P2 Ru
• 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: 10.152 ± 0.004 Å
• b: 13.095 ± 0.005 Å
• c: 18.857 ± 0.007 Å
• α: 95.262 ± 0.014°
• β: 102.251 ± 0.018°
• γ: 109.874 ± 0.019°
• Cell volume: 2267 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No