Information card for entry 4319675

Structure parameters

• Formula: C37 H40 Mn N12 O7
• Calculated formula: C37 H40 Mn N12 O7
• SMILES: [Mn]12345[N](CCN(CC[N]2=Cc2[n]3c([nH]c2)c2ccccc2)CC[N]4=Cc2[n]5c([nH]c2)c2ccccc2)=Cc2[n]1c([nH]c2)c1ccccc1.O=N(=O)[O-].O=N(=O)[O-].OC
• Title of publication: Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)
• Authors of publication: Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2534 - 2540
• a: 14.206 ± 0.001 Å
• b: 22.69 ± 0.003 Å
• c: 12.168 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3922.2 ± 0.9 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections: 2.853
• Goodness-of-fit parameter for all reflections included in the refinement: 2.85
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No