Information card for entry 7217163

Structure parameters

• Formula: C46 H36 Cu2 N8 P2 S2
• Calculated formula: C46 H36 Cu2 N8 P2 S2
• 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: 12.6132 ± 0.0006 Å
• b: 12.6674 ± 0.0006 Å
• c: 17.0373 ± 0.0007 Å
• α: 88.319 ± 0.003°
• β: 69.754 ± 0.004°
• γ: 65.581 ± 0.004°
• Cell volume: 2304.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No