Information card for entry 7235086

Structure parameters

• Chemical name: [tetraaquabis(6-chloropurinato-kN9)cobalt(II)] dihydrate
• Formula: C10 H20 Cl2 Co N8 O8
• Calculated formula: C10 H20 Cl2 Co N8 O8
• 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: 10.6365 ± 0.0002 Å
• b: 13.2099 ± 0.0001 Å
• c: 7.3378 ± 0.0001 Å
• α: 90°
• β: 110.057 ± 0.002°
• γ: 90°
• Cell volume: 968.48 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0276
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No