Information card for entry 2225612

Structure parameters

• Chemical name: Tetraaquabis[μ-<i>N</i>-(5-nitro-2- oxidobenzylidene)glycylglycinato]manganese(II)dinickel(II) tetrahydrate
• Formula: C22 H32 Mn N6 Ni2 O20
• Calculated formula: C22 H32 Mn N6 Ni2 O20
• SMILES: [Ni]123[N](=Cc4c(O2)ccc(c4)N(=O)=O)CC(=O)N1CC(=[O][Mn]([O]=C1CN2[Ni]4(Oc5ccc(cc5C=[N]4CC2=O)N(=O)=O)O1)([OH2])([OH2])([OH2])[OH2])O3.O.O.O.O
• Title of publication: Tetraaquabis[μ-<i>N</i>-(5-nitro-2-oxidobenzylidene)glycylglycinato]manganese(II)dinickel(II) tetrahydrate
• Authors of publication: Zou, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m471 - m472
• a: 7.25 ± 0.001 Å
• b: 11.581 ± 0.002 Å
• c: 38.058 ± 0.006 Å
• α: 90°
• β: 90.29 ± 0.01°
• γ: 90°
• Cell volume: 3195.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes