Information card for entry 1551548

Structure parameters

• Formula: C37 H32 Cl Mn2 N3 O7
• Calculated formula: C37 H32 Cl Mn2 N3 O7
• SMILES: [Mn]1234([O]=C(c5ccccc5)O[Mn]56([O]1Cc1ccccc1[N]4=Cc1ccccc1O2)([O]3Cc1ccccc1[N]5=Cc1ccccc1O6)[OH2])Cl.N#CC
• Title of publication: Crystal Structure and Magnetic Properties of an Asymmetrical Dinuclear Mn(III) Complex with <i>N</i>-(2-Oxymethylphenyl)salicylideneimine
• Authors of publication: SUEMITSU, Yuki; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2018
• Journal volume: 34
• Journal issue: 0
• Pages of publication: 29
• a: 10.9807 ± 0.0015 Å
• b: 12.329 ± 0.0017 Å
• c: 14.492 ± 0.002 Å
• α: 80.004 ± 0.01°
• β: 74.181 ± 0.008°
• γ: 64.614 ± 0.007°
• Cell volume: 1701.7 ± 0.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No