Information card for entry 1565644

Structure parameters

• Formula: C44 H48 N6 Ni4 O18
• Calculated formula: C44 H48 N6 Ni4 O18
• SMILES: c12c3cccc1C=[N]1OCCO[N]4=Cc5c6[O]7[Ni]814([O]2[Ni]17([O]3[Ni]2347[O]9c%10c(cccc%10C=[N]%10OCCO[N]%11=Cc%12c([O]4[Ni]9%10%11([O]=C(O2)C)[O]=CN(C)C)c([O]7C)ccc%12)[O]13)([O](c6ccc5)C)[O]=C(O8)C)[O]=CN(C)C
• Title of publication: Tetranuclear cobalt(II) and nickel(II) complexes with an unsymmetrical salamo-like ligand: Structural characterization, Hirshfeld analysis and fluorescent properties
• Authors of publication: Pu, Lu-Mei; Yu, Meng; Zhang, Yu; Long, Hai-Tao; Xu, Wei-Bing; Dong, Wen-Kui
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119238
• a: 13.3288 ± 0.0002 Å
• b: 13.447 ± 0.0003 Å
• c: 14.506 ± 0.0003 Å
• α: 90°
• β: 112.373 ± 0.001°
• γ: 90°
• Cell volume: 2404.24 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No