Information card for entry 4310557

Structure parameters

• Formula: C52 H40 Cl18 Mn4 N8 O10
• Calculated formula: C52 H40 Cl18 Mn4 N8 O10
• SMILES: c12cccc[n]2[Mn]234([NH](C1)CC[NH]3Cc1cccc[n]21)[Cl][Mn]123([n]5c(cccc5)C[NH]2CC[NH]3Cc2cccc[n]12)[Cl]4.c12c(c(Cl)c(c(c2O[Mn]2(O1)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)O2)Cl)Cl)Cl.c12c(c(Cl)c(c(c2O[Mn]2(O1)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)O2)Cl)Cl)Cl.O.O
• Title of publication: Slow Magnetic Relaxation in a Mixed-Valence Mn(II/III) Complex: [MnII2(bispicen)2(μ3-Cl)2MnIII(Cl4Cat)2MnIII(Cl4Cat)2(H2O)2]∞
• Authors of publication: Nizamuddin Shaikh; Anangamohan Panja; Sanchita Goswami; Pradyot Banerjee; Pavel Vojtíšek; Yuan-Zhu Zhang; Gang Su; Song Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 849 - 851
• a: 9.348 ± 0.002 Å
• b: 12.654 ± 0.002 Å
• c: 28.525 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3374.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No