Information card for entry 2224405

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylatophenyl)- <i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3-)}bis(perchlorato)tetranickel(II) methanol disolvate
• Formula: C50 H56 Cl2 N10 Ni4 O18
• Calculated formula: C50 H56 Cl2 N10 Ni4 O18
• SMILES: C12c3ccccc3[N]3[Ni]4([N](=C5C=3O[Ni]3([n]6ccccc6c6[n]3cccc6)([O]=C3c6ccccc6[N]6=C7C(=[N]8[Ni]6([N](CCC8)(C)C)O3)O[Ni]3([n]6ccccc6c6[n]3cccc6)([O]=2)O7)O5)CCC[N]4(C)C)O1.[O-]Cl(=O)(=O)=O.OC.[O-]Cl(=O)(=O)=O.OC
• Title of publication: Bis(2,2'-bipyridine)bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylatophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}bis(perchlorato)tetranickel(II) methanol disolvate
• Authors of publication: Tian, Chunliang; Gao, Zhongjun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1691
• a: 10.854 ± 0.004 Å
• b: 11.309 ± 0.004 Å
• c: 12.728 ± 0.005 Å
• α: 67.724 ± 0.004°
• β: 73.357 ± 0.004°
• γ: 75.411 ± 0.004°
• Cell volume: 1367 ± 0.9 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: 0.0429
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes