Information card for entry 1507914

Structure parameters

• Formula: C30 H24 N12 Ni O6 S2
• Calculated formula: C30 H24 N12 Ni O6 S2
• SMILES: [Ni]1234([S]=C(N[N]1=Cc1[n]2cccc1)Nc1ccccc1)[S]=C(N[N]4=Cc1[n]3cccc1)Nc1ccccc1.O=N(=O)[O-].O=N(=O)[O-].N#CC.N#CC
• Title of publication: Mono- and di-nuclear nickel(II) complexes with mixed N/S-donor ligands: Syntheses, structures and physical properties
• Authors of publication: Panjaa, Anangamohan; Eichhorn, David M
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 391
• Pages of publication: 88 - 92
• a: 20.568 ± 0.005 Å
• b: 12.316 ± 0.005 Å
• c: 15.551 ± 0.005 Å
• α: 90 ± 0.005°
• β: 117.519 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3494 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No