Information card for entry 7714016

Structure parameters

• Formula: C8 H8 Cd N14
• Calculated formula: C8 H8 Cd N14
• Title of publication: Refinement of the sensitive azides via in situ generated azole-based metal−organic frameworks towards stable energetic materials
• Authors of publication: Xie, Haohui; Weng, Jiao-Lin; Song, Ji-Xing; Yang, Wen-Jing; Wang, Qin; Cui, Meng; Zheng, Fa-Kun; Qiu, Renhui; Xu, Jian-Gang
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.9968 ± 0.0011 Å
• b: 8.5684 ± 0.0011 Å
• c: 16.2469 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1252.4 ± 0.3 ų
• Cell temperature: 295.74 ± 0.1 K
• Ambient diffraction temperature: 295.74 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No