Information card for entry 7032313

Structure parameters

• Common name: [RuBr(NO)2(PiPr3)2]BF4
• Formula: C18 H42 B Br F4 N2 O2 P2 Ru
• Calculated formula: C18 H42 B Br F4 N2 O2.004 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: 25.5181 ± 0.0009 Å
• b: 15.9734 ± 0.0006 Å
• c: 14.3915 ± 0.0005 Å
• α: 90°
• β: 115.204 ± 0.002°
• γ: 90°
• Cell volume: 5307.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031658
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No