Information card for entry 7046371

Structure parameters

• Formula: C36 H64 Cu2 I2 N12 O8 P4
• Calculated formula: C36 H64 Cu2 I2 N12 O8 P4
• Title of publication: Hydrosoluble Cu(i)-DAPTA complexes: synthesis, characterization, luminescence thermochromism and catalytic activity for microwave-assisted three-component azide-alkyne cycloaddition click reaction.
• Authors of publication: Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 21
• Pages of publication: 7290 - 7299
• a: 7.7429 ± 0.0011 Å
• b: 12.657 ± 0.0018 Å
• c: 13.3551 ± 0.0019 Å
• α: 107.207 ± 0.005°
• β: 98.563 ± 0.004°
• γ: 99.439 ± 0.005°
• Cell volume: 1205.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No