Information card for entry 7101349

Structure parameters

• Formula: C10 H24 B7 Fe O3 P
• Calculated formula: C10 H24 B7 Fe O3 P
• SMILES: [Fe]1234([C]56(O)[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[CH]691)(C#[O])(C#[O])[P](CC)(CC)CC
• 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: 19.121 ± 0.011 Å
• b: 9.018 ± 0.005 Å
• c: 20.973 ± 0.011 Å
• α: 90°
• β: 103.516 ± 0.018°
• γ: 90°
• Cell volume: 3516 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No