Information card for entry 1557520

Structure parameters

• Common name: [CuCl{1,2-[P(OEt)2)2-1,2-C2Bi0H10}(PPh3)]
• Formula: C28 H45 B10 Cl Cu O4 P3
• Calculated formula: C28 B10 Cl Cu O4 P3
• SMILES: [Cu]1(Cl)([P](OCC)(OCC)[C]2345[C]678([P]1(OCC)OCC)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Copper(I) Chloride Complexes of 1,2-Bis(disubstituted phosphino)-1,2-dicarba-closo-dodecaboranes and Crystal Structure of Chloro-[1,2-bis(diethoxyphosphino)-1,2-dicarba-closo- dodecaborane]triphenylphosphinecopper(I)
• Authors of publication: Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Abad, M. Mar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 499 - 504
• a: 18.597 ± 0.003 Å
• b: 10.897 ± 0.006 Å
• c: 20.677 ± 0.005 Å
• α: 90°
• β: 112.91 ± 0.02°
• γ: 90°
• Cell volume: 3860 ± 2 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.051
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.82
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No