Information card for entry 2233880

Structure parameters

• Chemical name: Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene- κ<i>N</i>^6^)copper(I)
• Formula: C28 H24 Cl Cu N8
• Calculated formula: C28 H24 Cl Cu N8
• SMILES: Cl[Cu]([n]1c2ccccc2nc2c1cc1NCCNc1c2)[n]1c2ccccc2nc2c1cc1NCCNc1c2
• Title of publication: Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene-κ<i>N</i>^6^)copper(I)
• Authors of publication: Chen, Xing-Shun; Zhang, Jing-Jing; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m297
• a: 16.987 ± 0.004 Å
• b: 11.606 ± 0.003 Å
• c: 14.487 ± 0.004 Å
• α: 90°
• β: 118.492 ± 0.003°
• γ: 90°
• Cell volume: 2510.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes