Information card for entry 7101352

Structure parameters

• Formula: C41 H39 B7 N O4 P2 Re
• Calculated formula: C41 H39 B7 N O4 P2 Re
• SMILES: [C]123(O)[Re]456([BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[CH]491)(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.098 ± 0.003 Å
• b: 15.289 ± 0.003 Å
• c: 17.297 ± 0.004 Å
• α: 90°
• β: 98.085 ± 0.009°
• γ: 90°
• Cell volume: 3953.1 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.072
• 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