Information card for entry 7050415

Structure parameters

• Formula: C102 H106 Cl4 Cu4 Mn2 N22 O29
• Calculated formula: C102 H100 Cl4 Cu4 Mn2 N22 O29
• Title of publication: A novel heterospin polynuclear complex containing both macrocyclic and imino nitroxide radical ligands: {[CuL(H2O)](CuL)Mn(IM-2Py)}{[CuL(MeOH)](CuL)Mn(IM-2Py)}(ClO4)4·MeOH
• Authors of publication: Liu, Zhi-Liang; Li, Li-Cun; Zhang, Lei; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 583
• a: 14.582 ± 0.004 Å
• b: 15.677 ± 0.005 Å
• c: 25.158 ± 0.008 Å
• α: 87.217 ± 0.006°
• β: 75.768 ± 0.006°
• γ: 78.204 ± 0.007°
• Cell volume: 5457 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3005
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No