Information card for entry 7236611

Structure parameters

• Formula: C6 H12 Cu N10 O14
• Calculated formula: C6 H12 Cu N10 O14
• Title of publication: A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance
• Authors of publication: Shen, Cheng; Xu, Yuan-gang; Lu, Ming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 35
• Pages of publication: 18854
• a: 5.1863 ± 0.0004 Å
• b: 16.5502 ± 0.0014 Å
• c: 10.248 ± 0.0009 Å
• α: 90°
• β: 93.952 ± 0.004°
• γ: 90°
• Cell volume: 877.54 ± 0.13 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.035
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No