Information card for entry 2225422

Structure parameters

• Chemical name: Poly[(dimethylformamide)(μ~4~-2,2'-sulfanediyldibenzoato)nickel(II)]
• Formula: C34 H30 N2 Ni2 O10 S2
• Calculated formula: C34 H30 N2 Ni2 O10 S2
• SMILES: [Ni]1234([O]=CN(C)C)[Ni]5([O]=CN(C)C)([O]=C(O1)c1ccccc1Sc1ccccc1C1=[O][Ni]6([O]=CN(C)C)[Ni](O1)([O]=CN(C)C)[O]=C(O6)c1ccccc1Sc1ccccc1C(=[O]4)O5)(OC(=[O]3)c1c(cccc1)Sc1ccccc1C(=O)[O-])[O]=C(O2)c1c(cccc1)Sc1ccccc1C(=O)[O-]
• Title of publication: Poly[(dimethylformamide)(μ~4~-2,2'-sulfanediyldibenzoato)nickel(II)]
• Authors of publication: Xie, Jiang-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m368
• a: 8.5196 ± 0.0002 Å
• b: 10.524 ± 0.0002 Å
• c: 11.0138 ± 0.0003 Å
• α: 67.241 ± 0.001°
• β: 79.041 ± 0.0011°
• γ: 71.796 ± 0.001°
• Cell volume: 862.33 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes