Information card for entry 4320375

Structure parameters

• Formula: C20 H31 Cl Cu F6 N5 O3 P
• Calculated formula: C20 H31 Cl Cu F6 N5 O3 P
• 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: 15.8165 ± 0.0009 Å
• b: 13.1367 ± 0.0007 Å
• c: 12.9107 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2682.5 ± 0.3 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 8
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No