Information card for entry 7712273

Structure parameters

• Formula: C42 H32 Cl2 Cu N2 O10 P2
• Calculated formula: C42 H32 Cl2 Cu N2 O10 P2
• SMILES: [Cu]12([O]=P(c3[n]1ccc1c3cccc1)(c1ccccc1)c1ccccc1)[O]=P(c1[n]2ccc2c1cccc2)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 14.8421 ± 0.0012 Å
• b: 22.3318 ± 0.0016 Å
• c: 23.2202 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7696.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No