Information card for entry 7026608

Structure parameters

• Formula: C48 H50 Cl2 N16 Ni4 O12
• Calculated formula: C48 H50 Cl2 N16 Ni4 O12
• SMILES: c1cccc2[n]1[Ni]13NC4=[N]5[O]3[Ni]3(O[N]1=C2N)([n]1ccccc1C1=[N]3[O]2[Ni]5([n]3ccccc43)([n]3ccc(cc3)C)([n]3ccc(cc3)C)O[N]3=C(N)c4[n](cccc4)[Ni]23N1)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Ferromagnetic coupling in oximato-bridged multi-decker Ni(II) clusters.
• Authors of publication: Kou, Hui-Zhong; An, Guang-Yu; Ji, Cong-Min; Wang, Bing-Wu; Cui, Ai-Li
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9604 - 9610
• a: 11.01 ± 0.002 Å
• b: 11.33 ± 0.002 Å
• c: 12.912 ± 0.003 Å
• α: 90.01 ± 0.03°
• β: 101.31 ± 0.03°
• γ: 107.17 ± 0.03°
• Cell volume: 1506.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1349
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No