Information card for entry 7038577

Structure parameters

• Formula: C50 H46 Cl4 Cu2 N4 O6 P2 S2
• Calculated formula: C50 H46 Cl4 Cu2 N4 O6 P2 S2
• 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: 9.7936 ± 0.0011 Å
• b: 15.2603 ± 0.0018 Å
• c: 17.429 ± 0.0018 Å
• α: 84.484 ± 0.005°
• β: 86.573 ± 0.005°
• γ: 79.91 ± 0.005°
• Cell volume: 2550.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.3091
• Weighted residual factors for all reflections included in the refinement: 0.3167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No