Information card for entry 4309740

Structure parameters

• Formula: C110 H134 Cl4 Mn4 N20 O30
• Calculated formula: C110 H134 Cl4 Mn4 N20 O30
• SMILES: [Mn]12345([Mn]678([O]9[Mn]%10%11([OH2])([O]=CN(C)C)[N](CC9C[N]6(Cc6[n]7c7ccccc7cc6)Cc6[n]8c7ccccc7cc6)(Cc6[n]%10c7ccccc7cc6)Cc6[n]%11c7ccccc7cc6)(O1)O2)[O]1[Mn]26([OH2])([O]=CN(C)C)[n]7c(C[N]2(CC1C[N]3(Cc1[n]5c2ccccc2cc1)Cc1[n]4c2ccccc2cc1)Cc1[n]6c2ccccc2cc1)ccc1ccccc71.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• 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: 14.9507 ± 0.0011 Å
• b: 26.6917 ± 0.0013 Å
• c: 16.8354 ± 0.0011 Å
• α: 90°
• β: 118.376 ± 0.003°
• γ: 90°
• Cell volume: 5911.1 ± 0.7 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No