Information card for entry 7241238

Structure parameters

• Formula: C16 H22 Cd2 N18 O20
• Calculated formula: C16 H22 Cd2 N18 O20
• Title of publication: A Highly Stable Octa-coordinated Energetic Complex
• Authors of publication: Tong, Wenchao; Bian, Mei; Feng, Yongan; Zhang, Tonglai; Hu, Shuangqi; Yang, Li
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.7293 ± 0.0017 Å
• b: 10.047 ± 0.002 Å
• c: 10.55 ± 0.003 Å
• α: 114.942 ± 0.003°
• β: 91.849 ± 0.002°
• γ: 95.634 ± 0.003°
• Cell volume: 736.8 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183.15 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: 0.0325
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No