Information card for entry 4112614

Structure parameters

• Formula: C20 H41 Co N7 O8
• Calculated formula: C20 H41 Co N7 O8
• SMILES: [Co]1234([O]=C(NC(C)(C)C)[C@@H]([N]3(CC[N]4([C@H](C(=[O]1)NC(C)(C)C)C)C)C)C)ON(=[O]2)=O.O=N(=O)[O-].N#CC
• Title of publication: Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex
• Authors of publication: Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6524 - 6525
• a: 7.7333 ± 0.0005 Å
• b: 11.6472 ± 0.0008 Å
• c: 32.483 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2925.8 ± 0.3 ų
• Cell temperature: 123.2 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 significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No