Information card for entry 7038580

Structure parameters

• Formula: C40 H44 Cu2 O10 P2 S2
• Calculated formula: C40 H44 Cu2 O10 P2 S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2S2(=[O][Cu]1(OS1(=[O][Cu]([P](c3ccccc3)(c3ccccc3)c3ccccc13)(O2)[OH]C)=O)[OH]C)=O.OC.CO
• Title of publication: Neutral copper(i) complexes featuring phosphinesulfonate chelates.
• Authors of publication: Vazart, F.; Savel, P.; Latouche, C.; Barone, V.; Camerel, F.; Roisnel, T.; Fillaut, J.-L.; Akdas-Kilig, H; Achard, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6566 - 6573
• a: 10.456 ± 0.0003 Å
• b: 11.375 ± 0.0005 Å
• c: 18.0053 ± 0.0008 Å
• α: 90°
• β: 106.129 ± 0.002°
• γ: 90°
• Cell volume: 2057.2 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No