Information card for entry 4319677

Structure parameters

• Formula: C37 H40 Co N12 O7
• Calculated formula: C37 H40 Co N12 O7
• SMILES: [Co]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: 14.228 ± 0.006 Å
• b: 22.514 ± 0.006 Å
• c: 12.015 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3849 ± 3 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: 0.0408
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.026
• Goodness-of-fit parameter for all reflections: 1.846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No