Information card for entry 7231488

Structure parameters

• Formula: C14 H12 Co N O6.5
• Calculated formula: C14 H9 Co N O5
• Title of publication: A novel metal‒organic framework based on hexanuclear Co(ii) clusters as an anode material for lithium-ion batteries
• Authors of publication: He, Yuan-Chun; Yu, Yang; Wang, Lingyan; Yang, Jiaqin; Kan, Wei-Qiu; Yang, Yan; Fan, Yao-Yao; Jing, Zhihong; You, Jinmao
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 37
• Pages of publication: 5576
• a: 18.1126 ± 0.0009 Å
• b: 18.1126 ± 0.0009 Å
• c: 46.624 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13246.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No