Information card for entry 4336268

Structure parameters

• Chemical name: catena-poly{[diaquabis(mu-hidroxido)tetrakis(Thymine-1-acetato)tricopper(II)] tetrahydrate}
• Formula: C28 H42 Cu3 N8 O24
• Calculated formula: C28 H42 Cu3 N8 O24
• Title of publication: Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases
• Authors of publication: Pilar Amo-Ochoa; Oscar Castillo; Carlos J. Gómez-García; Khaled Hassanein; Sandeep Verma; Jitendra Kumar; Félix Zamora
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11428 - 11437
• a: 5.567 ± 0.002 Å
• b: 12.438 ± 0.007 Å
• c: 14.775 ± 0.009 Å
• α: 105.241 ± 0.005°
• β: 100.679 ± 0.004°
• γ: 101.897 ± 0.004°
• Cell volume: 934.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No