Information card for entry 7040954

Structure parameters

• Formula: C8 H16 Cu N22
• Calculated formula: C8 H16 Cu N22
• Title of publication: Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.
• Authors of publication: Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17117 - 17122
• a: 10.6585 ± 0.0004 Å
• b: 8.7138 ± 0.0003 Å
• c: 9.7203 ± 0.0008 Å
• α: 90°
• β: 95.092 ± 0.005°
• γ: 90°
• Cell volume: 899.22 ± 0.09 ų
• Cell temperature: 101.7 K
• Ambient diffraction temperature: 101.7 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No