Information card for entry 7110839

Structure parameters

• Formula: C22 H38 Co N4 O4
• Calculated formula: C22 H38 Co N4 O4
• SMILES: [Co]([NH2]CC#C)([NH2]CC#C)([NH2]CC#C)([NH2]CC#C)(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
• Title of publication: Oxygen initiated unprecedented condensation of propargylamine into the 1,3-di(propargylimino)propylateanion coordinated to cobalt(iii)
• Authors of publication: Sidorov, Aleksei A.; Ponina, Marina O.; Deomidov, Sergei M.; Novotortsev, Vladimir M.; Nefedov, Sergei E.; Eremenko, Igor L.; Moiseev, Ilya I.; Demonceau, Albert
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 1383
• a: 6.528 ± 0.003 Å
• b: 10.634 ± 0.004 Å
• c: 11.041 ± 0.004 Å
• α: 66.36°
• β: 79.6°
• γ: 75.89°
• Cell volume: 678 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.1326
• Weighted residual factors for significantly intense reflections: 0.131
• Goodness-of-fit parameter for all reflections: 1.173
• Goodness-of-fit parameter for significantly intense reflections: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No