Information card for entry 7025737

Structure parameters

• Formula: C57 H69 B11 Cl6 P4 Pt2 S2 Sn
• Calculated formula: C57 H69 B11 Cl6 P4 Pt2 S2 Sn
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CCC[P](c2ccccc2)(c2ccccc2)[Pt]21[S]1[Pt]3([S]2[Sn]12456[BH]178[BH]9%102[BH]2%114[BH]4%129[BH]97%10[BH]7%108[BH]851[BH]157[BH]24([BH]%129%101)[BH]6%1185)[P](c1ccccc1)(c1ccccc1)CCC[P]3(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl
• Title of publication: Chalcogen chemistry of group(IV) closo-dodecaborates, synthesis, theory and coordination chemistry.
• Authors of publication: Dimmer, Jörg-Alexander; Hornung, Martin; Weigend, Florian; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7504 - 7512
• a: 15.7902 ± 0.0007 Å
• b: 20.8158 ± 0.001 Å
• c: 21.8516 ± 0.0009 Å
• α: 90°
• β: 108.343 ± 0.003°
• γ: 90°
• Cell volume: 6817.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No