Information card for entry 7122939

Structure parameters

• Formula: C84 H112 Co2 N6
• Calculated formula: C84 H112 Co2 N6
• 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: 23.3208 ± 0.0018 Å
• b: 14.4351 ± 0.0012 Å
• c: 25.484 ± 0.002 Å
• α: 90°
• β: 97.497 ± 0.002°
• γ: 90°
• Cell volume: 8505.5 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No