Information card for entry 1558361

Structure parameters

• Common name: [7,8-(Ethane-1',2'-dithiolato-S,S')-dicarba-nido-undecaborate] bis(triphenylphosphine)copper(I)
• Formula: C40 H44 B9 Cu P2 S2
• Calculated formula: C40 B9 Cu P2 S2
• SMILES: [Cu]1([S]2CC[S]1[C]134[C]562[BH]278[BH]9%10%11[BH]152[BH]139[BH]23%10[BH]57%11[BH]3([BH]412)[BH]685)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Crystal Structure of [7,8-(Ethane-1',2'-dithiolato-S,S')-dicarba-nido-undecaborate] bis(triphenylphosphine)copper(I)
• Authors of publication: Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Sanchez, Eustaquio
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 113 - 116
• a: 15.207 ± 0.003 Å
• b: 10.531 ± 0.003 Å
• c: 26.592 ± 0.006 Å
• α: 90°
• β: 99.29 ± 0.02°
• γ: 90°
• Cell volume: 4202.7 ± 1.8 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No