Information card for entry 4340529

Structure parameters

• Formula: C41 H36 Br Cu N2 O P2 S
• Calculated formula: C41 H36 Br Cu N2 O 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: 10.73 ± 0.002 Å
• b: 13.968 ± 0.002 Å
• c: 26.324 ± 0.005 Å
• α: 87.73 ± 0.02°
• β: 82.98 ± 0.03°
• γ: 75.88 ± 0.02°
• Cell volume: 3797.3 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No