Information card for entry 2205324

Structure parameters

• Formula: C44 H44 Mn2 N8 Ni O6
• Calculated formula: C44 H40 Mn2 N8 Ni O6
• SMILES: [Ni](C#[N][Mn]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)[OH2])(C#[N][Mn]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)[OH2])(C#N)C#N
• Title of publication: (<i>SP</i>-4-1)-Bis{aqua[(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis(salicylidene)cyclohexane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III)}-di-μ-cyano-κ^4^<i>N</i>:<i>C</i>-[dicyanonickel(II)]
• Authors of publication: Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m502 - m505
• a: 23.26 ± 0.002 Å
• b: 13.872 ± 0.002 Å
• c: 15.182 ± 0.003 Å
• α: 90°
• β: 93.79 ± 0.04°
• γ: 90°
• Cell volume: 4888 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.2896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No