Information card for entry 4307802

Structure parameters

• Formula: C45 H56 B11 Fe I2 N2 P3 Sn
• Calculated formula: C45 H56 B11 Fe I2 N2 P3 Sn
• SMILES: C1C2(C[P](c3ccccc3)(c3ccccc3)[Fe]34([H][B]5678[BH]9%10%11[BH]%12%13%14[BH]%15%16%17[BH]%188([B]58%19([B]369([BH]4%10%12[BH]9%13%15[BH]%16%188[BH]%19349)[H]3)[H]4)[Sn]7%11%14%17(I)I)([P]1(c1ccccc1)c1ccccc1)[P](C2)(c1ccccc1)c1ccccc1)C.C(#N)C.C(#N)C
• Title of publication: Iodination of Stanna-closo-dodecaborate
• Authors of publication: Torben Gädt; Falko M. Schappacher; Rainer Pöttgen; Lars Wesemann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2864 - 2869
• a: 11.5022 ± 0.0009 Å
• b: 12.102 ± 0.0009 Å
• c: 19.9242 ± 0.0014 Å
• α: 87.162 ± 0.006°
• β: 86.792 ± 0.006°
• γ: 81.35 ± 0.006°
• Cell volume: 2735.2 ± 0.4 ų
• Cell temperature: 173 ± 2 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: 0.0515
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No