Information card for entry 4303772

Structure parameters

• Formula: C6 H16 Cu3 N20
• Calculated formula: C6 H16 Cu3 N20
• Title of publication: CuII-Azide Polymers of Cu3 and Cu6 Building Units: Synthesis, Structures, and Magnetic Exchange Mechanism
• Authors of publication: Sandip Mukherjee; Bappaditya Gole; Rajesh Chakrabarty; Partha Sarathi Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11325 - 11334
• a: 8.9284 ± 0.0006 Å
• b: 16.8024 ± 0.0012 Å
• c: 13.0087 ± 0.0009 Å
• α: 90°
• β: 101.515 ± 0.005°
• γ: 90°
• Cell volume: 1912.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1805
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No