Information card for entry 4114580

Structure parameters

• Formula: C18 H26 Cl3 Co N10 O13
• Calculated formula: C18 H24 Cl3 Co N10 O13
• SMILES: [Co]12345[N](CCN(CC[N]2=Cc2[n]3c[nH]c2)CC[N]4=Cc2[n]5c[nH]c2)=Cc2[n]1c[nH]c2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups
• Authors of publication: Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 629 - 640
• a: 36.389 ± 0.002 Å
• b: 13.313 ± 0.002 Å
• c: 12.704 ± 0.002 Å
• α: 90°
• β: 104.98 ± 0.01°
• γ: 90°
• Cell volume: 5945.3 ± 1.4 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections: 1.592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.59
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No