Information card for entry 1558362

Structure parameters

• Common name: 7,8-mu-[SCH(PPh3)S]-7,8-C2B9H10
• Formula: C21 H26 B9 P S2
• Calculated formula: C21 B9 P S2
• SMILES: S1C(S[C]234[C]561[BH]178[BH]9%10%11[BH]251[BH]139[BH]23%10[BH]57%11[BH]3([BH]412)[BH]685)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Crystal Structure of a New S-Substituted Dicarba-nido-undecaborate Derivative (Inner Phosphonium Salt)
• Authors of publication: Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Ayllon, Jose A.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 117 - 121
• a: 11.373 ± 0.003 Å
• b: 14.654 ± 0.003 Å
• c: 14.694 ± 0.006 Å
• α: 90°
• β: 89.48 ± 0.03°
• γ: 90°
• Cell volume: 2448.8 ± 1.3 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 2.87
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No