Information card for entry 7235087

Structure parameters

• Chemical name: bis(guanine-KN9)bis(guaninium-KN9)bis(mu-chlorido)bis(chlorido)aquadicopper(II)tetrachloridocuprate(II)
• Formula: C20 H24 Cl8 Cu3 N20 O5
• Calculated formula: C20 H22 Cl8 Cu3 N20 O5
• 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: 7.8461 ± 0.0005 Å
• b: 8.759 ± 0.0005 Å
• c: 13.1716 ± 0.0008 Å
• α: 79.157 ± 0.005°
• β: 77.23 ± 0.005°
• γ: 78.526 ± 0.005°
• Cell volume: 855.28 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No