Information card for entry 2201934

Structure parameters

• Formula: C17 H24 Cu N12 O4
• Calculated formula: C17 H24 Cu N12 O4
• SMILES: [Cu]([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)([N]#C[N-]N(=O)=O)[N]#C[N-]N(=O)=O
• Title of publication: Bis(cyanamidonitrato-κ<i>N</i>)[tris(3,5-dimethylpyrazole)copper(II)
• Authors of publication: Díaz, Jesús García; Kožíšek, Jozef; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m241 - m243
• a: 9.1516 ± 0.0001 Å
• b: 21.266 ± 0.0001 Å
• c: 12.9498 ± 0.0001 Å
• α: 90°
• β: 109.154 ± 0.002°
• γ: 90°
• Cell volume: 2380.74 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes