Information card for entry 4320377

Structure parameters

• Formula: C19 H35 Cl2 N5 Ni O6
• Calculated formula: C19 H35 Cl2 N5 Ni O6
• SMILES: [Ni]12(Cl)([OH2])([OH2])[n]3c(cccc3C3=[N]2C(C([N]3=O)(C)C)(C)C)C2=[N]1C(C([N]2=O)(C)C)(C)C.[Cl-].O.O
• Title of publication: Experimental and Theoretical Studies on Ferromagnetically Coupled Metal Complexes with Imino Nitroxides
• Authors of publication: Oshio, Hiroki; Yamamoto, Masashi; Ito, Tasuku; Kawauchi, Hidekazu; Koga, Nobuaki; Ikoma, Tadaaki; Tero-Kubota, Shozo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Journal issue: 22
• Pages of publication: 5518 - 5525
• a: 6.5936 ± 0.0002 Å
• b: 13.2244 ± 0.0004 Å
• c: 16.2682 ± 0.0005 Å
• α: 108.163 ± 0.001°
• β: 100.676 ± 0.001°
• γ: 92.614 ± 0.001°
• Cell volume: 1316.38 ± 0.07 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 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: 0.0539
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No