Information card for entry 4303771

Structure parameters

• Formula: C12 H32 Cu3 N22
• Calculated formula: C12 H32 Cu3 N22
• SMILES: N(=N#N)[Cu]12([N](=N#N)[Cu]3([N](=N#N)[Cu]4([N](CC[N]4(C)C)(C)C)(N=N#N)[N]3=N#N)[N]2=N#N)[N](CC[N]1(C)C)(C)C
• 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: 8.5859 ± 0.0006 Å
• b: 8.4242 ± 0.0006 Å
• c: 18.4362 ± 0.0013 Å
• α: 90°
• β: 96.587 ± 0.001°
• γ: 90°
• Cell volume: 1324.68 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No