Information card for entry 7110838

Structure parameters

• Formula: C14 H20 Co0.5 N2 O2
• Calculated formula: C14 H20 Co0.5 N2 O2
• 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: 14.83 ± 0.003 Å
• b: 15.354 ± 0.003 Å
• c: 15.282 ± 0.003 Å
• α: 90°
• β: 94.83 ± 0.03°
• γ: 90°
• Cell volume: 3467.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1344
• Weighted residual factors for significantly intense reflections: 0.1214
• Goodness-of-fit parameter for all reflections: 1.311
• Goodness-of-fit parameter for significantly intense reflections: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No