Information card for entry 2202479

Structure parameters

• Chemical name: Rac-bis[(1S,2S)-trans-3,3'-(1,2-cyclohexanediyldinitrilo)bis- (2-methylpropane-2-thiolato)]-1κ^4^N^1^,N^1'^,S^1^,S^1'^;- 2κ^4^N^2^,N^2'^,S^2^,S^2'^;3κ^2^S^1^,S^2'^;4κ^2^S^1'^,S^2^;- 5κ^2^S^1'^,S^2'^-trichloro-3κCl,4κCl,5κCl-tricopper(I)- dinickel(II) bis(dimethylformamide) solvate
• Formula: C34 H70 Cl3 Cu3 N6 Ni2 O2 S4
• Calculated formula: C34 H70 Cl3 Cu3 N6 Ni2 O2 S4
• Title of publication: A pentanuclear complex exhibiting two short Ni‒Cu distances
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m630 - m632
• a: 11.874 ± 0.003 Å
• b: 20.058 ± 0.004 Å
• c: 21.348 ± 0.005 Å
• α: 90°
• β: 100.48 ± 0.01°
• γ: 90°
• Cell volume: 5000 ± 2 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes