Information card for entry 4324179

Structure parameters

• Formula: C4 H12 Cu N10 O8
• Calculated formula: C4 H12 Cu N10 O8
• SMILES: C(N)(N[Cu](NC(N)=C(N(=O)=O)N(=O)=O)([NH3])[NH3])=C(N(=O)=O)N(=O)=O
• Title of publication: FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines
• Authors of publication: Sonali Garg; Haixiang Gao; Damon A. Parrish; Jean'ne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 390 - 395
• a: 6.8796 ± 0.0007 Å
• b: 7.3038 ± 0.0007 Å
• c: 13.1982 ± 0.0013 Å
• α: 90°
• β: 95.986 ± 0.001°
• γ: 90°
• Cell volume: 659.56 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No