Information card for entry 7010620

Structure parameters

• Formula: C28 H33 Cl2 Cu N5 O8
• Calculated formula: C28 H33 Cl2 Cu N5 O8
• Title of publication: A novel fluorescence redox switch based on the formal NiII/NiI couple †
• Authors of publication: Di Casa, Michela; Fabbrizzi, Luigi; Licchelli, Maurizio; Poggi, Antonio; Sacchi, Donata; Zema, Michele
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1671
• a: 19.472 ± 0.003 Å
• b: 7.613 ± 0.002 Å
• c: 21.797 ± 0.004 Å
• α: 90°
• β: 110.793 ± 0.015°
• γ: 90°
• Cell volume: 3020.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1241
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections: 0.188
• Weighted residual factors for significantly intense reflections: 0.156
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No