Information card for entry 7038578

Structure parameters

• Formula: C32 H32 Cl4 Cu N4 O3 P S
• Calculated formula: C32 H32 Cl4 Cu N4 O3 P S
• SMILES: [Cu]12(OS(=O)(=O)c3c([P]1(c1ccccc1)c1ccccc1)cccc3)[n]1c(nc(cc1C)C)c1[n]2c(cc(n1)C)C.C(Cl)Cl.C(Cl)Cl
• 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: 9.3556 ± 0.0003 Å
• b: 12.7473 ± 0.0004 Å
• c: 16.0649 ± 0.0005 Å
• α: 72.391 ± 0.002°
• β: 81.722 ± 0.001°
• γ: 71.367 ± 0.001°
• Cell volume: 1728.01 ± 0.1 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: 0.0498
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No