Information card for entry 7011174

Structure parameters

• Formula: C24 H32 Cu N12 O4
• Calculated formula: C24 H32 Cu N12 O4
• SMILES: N(=N#N)[Cu]([n]1cccc(c1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)([n]1cccc(c1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)N=N#N
• Title of publication: A novel two-dimensional copper(II)‒radical complex [Cu(NITmPy)2(N3)2]n: structure and magnetic properties
• Authors of publication: Licun Li; Daizheng Liao; Zonghui Jiang; Shiping Yan
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1350 - 1353
• a: 10.239 ± 0.003 Å
• b: 11.04 ± 0.004 Å
• c: 12.383 ± 0.004 Å
• α: 90°
• β: 101.761 ± 0.006°
• γ: 90°
• Cell volume: 1370.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0893
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No