Information card for entry 4309741

Structure parameters

• Formula: C43 H38 N6 O
• Calculated formula: C43 H38 N6 O
• SMILES: OC(CN(Cc1nc2ccccc2cc1)Cc1nc2ccccc2cc1)CN(Cc1nc2ccccc2cc1)Cc1nc2ccccc2cc1
• 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: 10.2413 ± 0.0002 Å
• b: 11.1121 ± 0.0002 Å
• c: 16.3122 ± 0.0002 Å
• α: 73.573 ± 0.011°
• β: 80.353 ± 0.012°
• γ: 77.915 ± 0.012°
• Cell volume: 1729.47 ± 0.13 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No