Information card for entry 4349321

Structure parameters

• Formula: C20 H22 Cu4 N34 O19
• Calculated formula: C20 H22 Cu4 N34 O19
• Title of publication: Coordination Polymerization of 5,5'-Dinitro-2H,2H'-3,3'-bi-1,2,4-triazole Leads to a Dense Explosive with High Thermal Stability.
• Authors of publication: Seth, Saona; Matzger, Adam J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 561 - 565
• a: 8.3638 ± 0.0002 Å
• b: 11.3712 ± 0.0008 Å
• c: 11.5116 ± 0.0002 Å
• α: 94.293 ± 0.005°
• β: 95.368 ± 0.007°
• γ: 98.813 ± 0.005°
• Cell volume: 1072.72 ± 0.08 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 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: 0.0657
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No