Information card for entry 7048603

Structure parameters

• Formula: C36 H28 Cu K O6 P2 S2
• Calculated formula: C36 H28 Cu K O6 P2 S2
• Title of publication: Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.
• Authors of publication: Vacher, Antoine; Amar, Anissa; Camerel, Franck; Molard, Yann; Latouche, Camille; Roisnel, Thierry; Dorcet, Vincent; Boucekkine, Abdou; Akdas-Kiliç, Huriye; Achard, Mathieu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2128 - 2134
• a: 10.38 ± 0.0004 Å
• b: 11.5408 ± 0.0004 Å
• c: 14.0557 ± 0.0004 Å
• α: 87.064 ± 0.001°
• β: 86.382 ± 0.001°
• γ: 86.785 ± 0.001°
• Cell volume: 1675.86 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No