Information card for entry 2311402

Structure parameters

• Chemical name: Tetraaquabis(1,3-dimethyl-2,6-dioxo-7<i>H</i>-purin-7-ido-κ<i>N</i>^7^)cobalt(II)
• Formula: C14 H22 Co N8 O8
• Calculated formula: C14 H22 Co N8 O8
• SMILES: c12c(C(=O)N(C(=O)N2C)C)n([Co]([OH2])([OH2])([OH2])([OH2])n2cnc3c2C(=O)N(C(=O)N3C)C)cn1
• Title of publication: Crystal structure of tetra-aqua-bis-(1,3-dimethyl-2,6-dioxo-7<i>H</i>-purin-7-ido-κ<i>N</i>⁷)cobalt(II).
• Authors of publication: El Hamdani, Hicham; El Amane, Mohammed; Duhayon, Carine
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 9
• Pages of publication: 1302 - 1304
• a: 7.6304 ± 0.0003 Å
• b: 13.1897 ± 0.0006 Å
• c: 9.667 ± 0.0004 Å
• α: 90°
• β: 104.974 ± 0.0017°
• γ: 90°
• Cell volume: 939.87 ± 0.07 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• 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: 0.0211
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for all reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.0229
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No