Information card for entry 7235085

Structure parameters

• Chemical name: [Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- water (1/8)]
• Formula: C20 H36 Cl4 Cu2 N20 O8
• Calculated formula: C20 H20 Cl4 Cu2 N20 O7.9998
• Title of publication: Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities
• Authors of publication: Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 18
• Pages of publication: 2528
• a: 13.7405 ± 0.0007 Å
• b: 10.3343 ± 0.0006 Å
• c: 12.1024 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.52 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No