Information card for entry 2203453

Structure parameters

• Formula: C49 H50 Cl2 N4 Ni2 O4 S2
• Calculated formula: C49 H50 Cl2 N4 Ni2 O4 S2
• Title of publication: <i>rac</i>-Bis[μ-<i>N</i>-salicylidene-<i>N</i>'-(α-phenylsulfanylmethyl-2-oxidobenzyl)propylenediamine-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>,<i>O</i>']nickel(II) dichloromethane solvate
• Authors of publication: Berkessel, Albrecht; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m387 - m389
• a: 25.38 ± 0.002 Å
• b: 7.976 ± 0.001 Å
• c: 22.95 ± 0.002 Å
• α: 90°
• β: 97.82 ± 0.01°
• γ: 90°
• Cell volume: 4602.6 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.1417
• Residual factor for significantly intense reflections: 0.1268
• Weighted residual factors for significantly intense reflections: 0.3107
• Weighted residual factors for all reflections included in the refinement: 0.3327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes