Information card for entry 7050073

Structure parameters

• Formula: C13 H12 Cu N8
• Calculated formula: C13 H12 Cu N8
• SMILES: [Cu]1([N](=C(c2[n]1cccc2)C)c1ccccc1)(N=N#N)N=N#N
• Title of publication: Crystal structures and magnetic behaviour of three new azido-bridged dinuclear cobalt(ii) and copper(ii) complexes
• Authors of publication: Bai, Shi-Qiang; Gao, En-Qing; He, Zheng; Fang, Chen-Jie; Yan, Chun-Hua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 935
• a: 12.015 ± 0.0004 Å
• b: 6.394 ± 0.0002 Å
• c: 19.1148 ± 0.0008 Å
• α: 90°
• β: 102.01 ± 0.03°
• γ: 90°
• Cell volume: 1436.33 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No