Information card for entry 7235088

Structure parameters

• Chemical name: [tetraaquabis(9-methyladenine-kN7)cobalt(II)] chloride dihydrate
• Formula: C12 H26 Cl2 Co N10 O6
• Calculated formula: C12 H26 Cl2 Co N10 O6
• 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: 11.388 ± 0.0014 Å
• b: 6.7307 ± 0.0007 Å
• c: 14.9009 ± 0.0019 Å
• α: 90°
• β: 109.96 ± 0.014°
• γ: 90°
• Cell volume: 1073.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No