Information card for entry 7034441

Structure parameters

• Formula: C22 H24 Cu2 N4
• Calculated formula: C22 H24 Cu2 N4
• Title of publication: Luminescent copper(i) halide and pseudohalide phenanthroline complexes revisited: simple structures, complicated excited state behavior.
• Authors of publication: Nitsch, Jörn; Kleeberg, Christian; Fröhlich, Roland; Steffen, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6944 - 6960
• a: 8.5167 ± 0.0003 Å
• b: 12.2692 ± 0.0003 Å
• c: 20.6552 ± 0.0005 Å
• α: 90°
• β: 94.754 ± 0.003°
• γ: 90°
• Cell volume: 2150.9 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No