Information card for entry 7217161

Structure parameters

• Formula: C40 H33 Cu N2 P2 S
• Calculated formula: C40 H33 Cu N2 P2 S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]1([n]2c(nccc2)S1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes
• Authors of publication: Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 58
• Pages of publication: 30511
• a: 9.349 ± 0.003 Å
• b: 11.14 ± 0.004 Å
• c: 18.86 ± 0.006 Å
• α: 93.05 ± 0.013°
• β: 92.208 ± 0.012°
• γ: 113.907 ± 0.011°
• Cell volume: 1789.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No