Information card for entry 1551756

Structure parameters

• Formula: C58 H40 Mn2 N2 O8
• Calculated formula: C58 H40 Mn2 N2 O8
• SMILES: [O]1=Cc2c3ccccc3ccc2O[Mn]2341[N](c1c(C[O]2[Mn]256([N](c7c(C[O]32)cccc7)=Cc2c3ccccc3ccc2O5)[O]=Cc2c3ccccc3ccc2O6)cccc1)=Cc1c2ccccc2ccc1O4
• Title of publication: Synthesis and Crystal Structure of a Dinuclear Manganese(III) Complex of 1-[(2-Hydroxymethylphenyl)iminomethyl]-2-naphthol
• Authors of publication: MATSUNAGA, Ryuji; YAMADA, Yasunori; KOIKAWA, Masayuki; TOKII, Tadashi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 71
• a: 10.08 ± 0.004 Å
• b: 23.642 ± 0.008 Å
• c: 10.368 ± 0.004 Å
• α: 90°
• β: 115.142 ± 0.005°
• γ: 90°
• Cell volume: 2236.7 ± 1.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No