Information card for entry 4340496

Structure parameters

• Formula: C19 H27 Cl2 N5 O2 Zn
• Calculated formula: C19 H27 Cl2 N5 O2 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(cccc3C3=[N]1C(C([N]3=O)(C)C)(C)C)C1=[N]2C(C([N]1=O)(C)C)(C)C
• 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: 15.0975 ± 0.0008 Å
• b: 12.3488 ± 0.0007 Å
• c: 24.2596 ± 0.0013 Å
• α: 90°
• β: 98.143 ± 0.001°
• γ: 90°
• Cell volume: 4477.3 ± 0.4 ų
• Cell temperature: 203.15 K
• Ambient diffraction temperature: 203.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4320376
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No