Information card for entry 4075506

Structure parameters

• Formula: C54 H66 B11 Cr Fe O7 P3 Sn
• Calculated formula: C54 H66 B11 Cr Fe O7 P3 Sn
• SMILES: C(#[O])[Cr](C#[O])(C#[O])(C#[O])(C#[O])[Sn]1234[B]56789[BH]%10%111[BH]1%122[BH]2%133[BH]345[B]45%14%157[B]7%166%10([BH]6%11%12[BH]%101%13[BH]234[BH]576%10)[H][Fe]129%15%16([H]8)([H]%14)[P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.C1CCCO1.C1CCCO1
• Title of publication: Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)
• Authors of publication: Gädt, Torben; Eichele, Klaus; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3904
• a: 12.0705 ± 0.0009 Å
• b: 13.263 ± 0.001 Å
• c: 21.0976 ± 0.0016 Å
• α: 76.283 ± 0.006°
• β: 77.687 ± 0.006°
• γ: 70.274 ± 0.006°
• Cell volume: 3055.7 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No