Information card for entry 4309742

Structure parameters

• Formula: C106 H116 Cl4 Mn4 N18 O24
• Calculated formula: C106 H116 Cl4 Mn4 N18 O24
• SMILES: [Mn]12345([Mn]678([O]9[Mn]%10%11([OH2])[N](CC9C[N]6(Cc6[n]7c7ccccc7cc6)Cc6[n]8c7ccccc7cc6)(Cc6[n]%10c7ccccc7cc6)Cc6[n]%11c7ccccc7cc6)(O1)O2)[O]1[Mn]26([OH2])[N](CC1C[N]4(Cc1[n]3c3c(cc1)cccc3)Cc1[n]5c3ccccc3cc1)(Cc1[n]2c2ccccc2cc1)Cc1[n]6c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O(CC)CC.O(CC)CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: N,N,N',N'-Tetrakis(2-quinolylmethyl)-2-hydroxy-1,3-propanediamine (Htqhpn) as a Supporting Ligand for a Low-Valent (μ-O)2 Tetranuclear Manganese Core
• Authors of publication: Yuji Mikata; Motoko Wakamatsu; Haruka So; Yuriko Abe; Masahiro Mikuriya; Kôichi Fukui; Shigenobu Yano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7268 - 7270
• a: 14.178 ± 0.004 Å
• b: 14.3 ± 0.004 Å
• c: 15.741 ± 0.004 Å
• α: 73.948 ± 0.012°
• β: 69.661 ± 0.011°
• γ: 69.339 ± 0.011°
• Cell volume: 2756.6 ± 1.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No