Information card for entry 2005689

Structure parameters

• Chemical name: Bis[S,S'(-)-trans-3,3'-(1,2-cyclohexandiyldinitrilo)-bis(2-methylpropane-2- thialato)nickel(II)] [(μ-iodocopper(I)-κ^2^S^1^,S^2'^)(μ-iodocopper(I)-κ^2^S^2^,S^1'^)(μ- iodocopper(I)-κ^2^S^2^,S^2'^)].diacetonitrile
• Formula: C32 H62 Cu3 I3 N6 Ni2 S4
• Calculated formula: C32 H62 Cu3 I3 N6 Ni2 S4
• Title of publication: A Mixed-Metal Pentanuclear Complex Containing Linked Ni^II^N~2~S~2~ and Cu^I^I Units
• Authors of publication: Fox, S.; Stibrany, R. T.; Potenza, J. A.; Schugar, H. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2731 - 2734
• a: 12.837 ± 0.003 Å
• b: 18.081 ± 0.004 Å
• c: 11.747 ± 0.004 Å
• α: 96.49 ± 0.02°
• β: 106.84 ± 0.03°
• γ: 107.77 ± 0.03°
• Cell volume: 2423.7 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 5.25
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No