Information card for entry 2203292

Structure parameters

• Chemical name: (1S,2S)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop- 1-enethiolato-κ^4^S,N,N',S']nickel(II)
• Formula: C26 H28 N2 Ni O2 S2
• Calculated formula: C26 H28 N2 Ni O2 S2
• SMILES: [Ni]123[N](=CC=C(S1)c1ccc(cc1)OC)[C@H]1CCCC[C@@H]1[N]2=CC=C(S3)c1ccc(cc1)OC
• Title of publication: (1<i>S</i>,2<i>S</i>)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop-1-enethiolato-κ^4^<i>S,N,N</i>',<i>S</i>']nickel(II)
• Authors of publication: Evain, Michel; Deniaud, David; Meslin, Jean Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m325 - m327
• a: 7.8637 ± 0.0004 Å
• b: 29.1592 ± 0.0009 Å
• c: 31.2637 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7168.7 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 2.24
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes