Information card for entry 4302746

Structure parameters

• Formula: C51 H73 Cl3 N30 Ni6 O27
• Calculated formula: C51 H66 Cl3 N30 Ni6 O27
• SMILES: [Ni]123([N]([O]4[Ni]5678[O]3[N]3[Ni]9%10([n]%11c(C=3)n(cc%11)C)([N]([O]5[Ni]354([N]4[O]8[Ni]8([N](O7)=Cc7[n]8ccn7C)([n]7c(C=4)n(cc7)C)([OH2])[OH]C)O[N]4[Ni]78([n]%11c(C=4)n(cc%11)C)([N](O3)=Cc3[n]7ccn3C)[N](O5)=Cc3[n]8ccn3C)=Cc3[n]9ccn3C)[N](O6)=Cc3[n]%10ccn3C)=Cc3[n]1ccn3C)([N](O)=Cc1[n]2ccn1C)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Polynuclear Nickel(II) Complexes: A Magnetostructural Study of NiII4, NiII6, and NiII9 Species with Oxime Ligands
• Authors of publication: Biplab Biswas; Ulrich Pieper; Thomas Weyhermüller; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6781 - 6793
• a: 13.9793 ± 0.0007 Å
• b: 15.2739 ± 0.0008 Å
• c: 20.9404 ± 0.0013 Å
• α: 90.848 ± 0.003°
• β: 92.412 ± 0.003°
• γ: 94.46 ± 0.003°
• Cell volume: 4452.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1241
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No