Information card for entry 7025157

Structure parameters

• Formula: C23 H27 Cu N3 O2 P S2
• Calculated formula: C23 H27 Cu N3 O2 P S2
• SMILES: [Cu]12([S]=P(OC(C)C)(OC(C)C)N=C(S1)c1ccccc1)[n]1ccccc1c1[n]2cccc1
• Title of publication: Copper(I) complexes with N-(diisopropoxythiophosphoryl)thiobenzamide PhC(S)NHP(S)(OiPr)2.
• Authors of publication: Babashkina, Maria G.; Safin, Damir A.; Fayon, Franck; Rakhmatullin, Aydar I.; Sokolov, Felix D.; Klein, Axel; Krivolapov, Dmitriy B.; Pape, Tania; Hahn, F. Ekkehardt; Kozlowski, Henryk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8261 - 8268
• a: 12.1311 ± 0.0015 Å
• b: 9.9187 ± 0.0012 Å
• c: 21.333 ± 0.003 Å
• α: 90°
• β: 106.348 ± 0.002°
• γ: 90°
• Cell volume: 2463.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No