Information card for entry 4340526

Structure parameters

• Formula: C41.5 H38 Cl Cu N2 O0.5 P2 S
• Calculated formula: C41.5 H38 Cl Cu N2 O0.5 P2 S
• Title of publication: Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.
• Authors of publication: Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8322 - 8333
• a: 14.753 ± 0.003 Å
• b: 10.024 ± 0.002 Å
• c: 24.711 ± 0.003 Å
• α: 90°
• β: 91.78 ± 0.02°
• γ: 90°
• Cell volume: 3652.6 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No