Information card for entry 7026607

Structure parameters

• Formula: C44 H42 Cl2 N16 Ni4 O12
• Calculated formula: C44 H42 Cl2 N16 Ni4 O12
• SMILES: [n]1(ccccc1)[Ni]123([n]4ccccc4C4=[N]1[O]1[Ni]5([n]6ccccc6C6=[N]5[O]3[Ni]3(N6)[n]5ccccc5C(=[N]3O2)N)([n]2ccccc2)([n]2ccccc2)O[N]2=C(c3cccc[n]3[Ni]12N4)N)[n]1ccccc1.[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: 10.586 ± 0.002 Å
• b: 10.925 ± 0.002 Å
• c: 11.471 ± 0.002 Å
• α: 90.07 ± 0.03°
• β: 99.39 ± 0.03°
• γ: 103.55 ± 0.03°
• Cell volume: 1271.4 ± 0.5 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: 0.0517
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No