Information card for entry 7048606

Structure parameters

• Formula: C36 H42 Cu2 N2 O6 P2 S2
• Calculated formula: C36 H42 Cu2 N2 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: 8.3918 ± 0.0007 Å
• b: 9.9958 ± 0.0007 Å
• c: 12.8416 ± 0.001 Å
• α: 109.783 ± 0.002°
• β: 108.389 ± 0.002°
• γ: 93.792 ± 0.002°
• Cell volume: 943.65 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0295
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No