Information card for entry 7005750

Structure parameters

• Formula: C52 H62 Cl2 Mn2 N8 O11
• Calculated formula: C52 H60 Cl2 Mn2 N8 O11
• SMILES: [Mn]12345([Mn]678(O1)(O2)[N](CC[N]6(Cc1[n]8c2ccccc2cc1)CC)(Cc1[n]7c2ccccc2cc1)CC)[N](CC[N]3(Cc1[n]5c2ccccc2cc1)CC)(Cc1[n]4c2ccccc2cc1)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=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: 16.018 ± 0.006 Å
• b: 21.574 ± 0.007 Å
• c: 17.179 ± 0.006 Å
• α: 90°
• β: 112.419 ± 0.0011°
• γ: 90°
• Cell volume: 5488 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No