Information card for entry 7101350

Structure parameters

• Formula: C5 H9 B7 O4 Ru
• Calculated formula: C5 H9 B7 O4 Ru
• SMILES: [Ru]1234([C]56(O)[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[CH]691)(C#[O])(C#[O])C#[O]
• Title of publication: Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}
• Authors of publication: A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 32
• a: 7.6548 ± 0.0007 Å
• b: 11.6193 ± 0.0012 Å
• c: 19.6123 ± 0.0019 Å
• α: 93.716 ± 0.005°
• β: 98.033 ± 0.005°
• γ: 90.739 ± 0.005°
• Cell volume: 1723.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No