Information card for entry 7712277

Structure parameters

• Formula: C67 H53 Cl6 Cu2 F12 N4 P5
• Calculated formula: C67 H53 Cl6 Cu2 F12 N4 P5
• Title of publication: Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.
• Authors of publication: Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 12.4808 ± 0.001 Å
• b: 23.632 ± 0.002 Å
• c: 23.161 ± 0.002 Å
• α: 90°
• β: 97.416 ± 0.003°
• γ: 90°
• Cell volume: 6774.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No