Information card for entry 4075867

Structure parameters

• Formula: C23 H27 Au B10 O3 P Re
• Calculated formula: C23 H27 Au B10 O3 P Re
• SMILES: [CH]123[BH]456[Re]789%102([BH]2%111[BH]1%1234[BH]34%11[B]%11%1382([H][Au]%10%13[P](c2ccccc2)(c2ccccc2)c2ccccc2)[BH]289[CH]957[BH]561[BH]1%123[BH]295[BH]4%1181)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)
• Authors of publication: Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3386
• a: 8.973 ± 0.007 Å
• b: 12.99 ± 0.011 Å
• c: 13.75 ± 0.012 Å
• α: 64.6 ± 0.05°
• β: 84.03 ± 0.05°
• γ: 70.23 ± 0.05°
• Cell volume: 1361 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No