Information card for entry 2231759

Structure parameters

• Chemical name: Chlorido(10,11,12,13-tetrahydro-4,5,9,14-tetraazabenzo[<i>b</i>]triphenylene- κ^2^<i>N</i>^4^,<i>N</i>^5^)copper(I)
• Formula: C18 H14 Cl Cu N4
• Calculated formula: C17.994 H14 Cl Cu N4
• Title of publication: Chlorido(10,11,12,13-tetrahydro-4,5,9,14-tetraazabenzo[<i>b</i>]triphenylene-κ^2^<i>N</i>^4^,<i>N</i>^5^)copper(I)
• Authors of publication: Hong, Jun; Li, Xiu-Ying; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1322
• a: 7.9405 ± 0.001 Å
• b: 15.8861 ± 0.0019 Å
• c: 12.6312 ± 0.0016 Å
• α: 90°
• β: 99.531 ± 0.002°
• γ: 90°
• Cell volume: 1571.4 ± 0.3 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: 0.0778
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes