Information card for entry 7005749

Structure parameters

• Formula: C54 H66 Cl2 Mn2 N10 O12
• Calculated formula: C54 H66 Cl2 Mn2 N10 O12
• SMILES: C1C[N]2(C)[Mn]345([N]1(Cc1ccc6ccccc6[n]31)C)([n]1c(C2)ccc2ccccc12)O[Mn]1235([N](CC[N]1(Cc1[n]3c3ccccc3cc1)C)(Cc1ccc3ccccc3[n]21)C)O4.N(C=O)(C)C.[O-]Cl(=O)(=O)=O.N(C=O)(C)C.[O-]Cl(=O)(=O)=O
• Title of publication: Quinoline-based tetradendate nitrogen ligands stabilize the bis(micro-oxo) dinuclear manganese(iii,iii) core.
• Authors of publication: Mikata, Yuji; So, Haruka; Yamashita, Azusa; Kawamura, Ayano; Mikuriya, Masahiro; Fukui, Kôichi; Ichimura, Akio; Yano, Shigenobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3330 - 3334
• a: 12.9335 ± 0.0004 Å
• b: 12.9335 ± 0.0004 Å
• c: 32.623 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5457 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No