Information card for entry 7122938

Structure parameters

• Formula: C19 H29 K N O3
• Calculated formula: C19 H29 K N O3
• Title of publication: Selective reduction of 1,5-diazacyclooctatetraenes: synthesis and structures of aromatic diazacyclooctatetraenyl dianions and 2,6-bipyrrolinyl dianionic Co(II) complex
• Authors of publication: Huang, Zhe; Tan, Genwen; Chen, Chao; Zhang, Wen-Xiong; Wang, Xinping; Xi, Zhenfeng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.3241 ± 0.0003 Å
• b: 10.8056 ± 0.0003 Å
• c: 11.7204 ± 0.0004 Å
• α: 116.878 ± 0.003°
• β: 104.713 ± 0.003°
• γ: 98.473 ± 0.003°
• Cell volume: 970.58 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0405
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0417
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No