Information card for entry 7003229

Structure parameters

• Common name: Tetrabutylammonium tris(2,2-dicyano-1,1-ethenedithiolato)tris- cuprate(i)
• Chemical name: Tetrabutylammonium tris(2,2-dicyano-1,1-ethenedithiolato)tris-cuprate(I)
• Formula: C60 H108 Cu3 N9 S6
• Calculated formula: C60 H108 Cu3 N9 S6
• SMILES: [Cu]1234[Cu]56([Cu]71([S]2C(=C(S3)C#N)C#N)[S]6C(=C(S7)C#N)C#N)[S]4C(=C(S5)C#N)C#N.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Two enantiomers of [Cu3(mnt)3]3− as ligands to Cu(i) or Ag(i) in building [Cu6M2(mnt)6]4− complexes (M = Cu or Ag) with the reversal of the reaction by X− (X = Cl, Br)
• Authors of publication: Maiti, Biplab K.; Pal, Kuntal; Sarkar, Sabyasachi
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1003 - 1008
• a: 23.8615 ± 0.0014 Å
• b: 16.7245 ± 0.001 Å
• c: 29.5431 ± 0.0018 Å
• α: 90°
• β: 113.285 ± 0.001°
• γ: 90°
• Cell volume: 10829.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2417
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No