Information card for entry 7009134

Structure parameters

• Formula: C20 H28 Cl2 Co N12 O12
• Calculated formula: C20 H28 Cl2 Co N12 O12
• SMILES: Cc1c(=O)[n](c(cc1)N)[Co]([n]1c(=O)n(C)ccc1N)([n]1c(=O)n(C)ccc1N)[n]1c(=O)n(C)ccc1N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: New supramolecular complexes of manganese(II) and cobalt(II) with nucleic bases. Crystal structures of [M(H2O)6(1-Mecyt)6][ClO4]2·H2O, [Co(1-Mecyt)4][ClO4]2 and [M(H2O)4(cyt)2][ClO4]2·2cyt·2H2O [M = CoII or MnII; cyt = cytosine; 1-Mecyt = 1-methylcytosine]
• Authors of publication: De Munno, Giovanni; Medaglia, Marcella; Armentano, Donatella; Anastassopoulou, Jane; Theophanides, Theophilos
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1625
• a: 13.737 ± 0.002 Å
• b: 13.737 ± 0.002 Å
• c: 16.131 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3044 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 5.98
• Residual factor for significantly intense reflections: 4.69
• Weighted residual factors for all reflections: 7.96
• Weighted residual factors for significantly intense reflections: 6.8
• Goodness-of-fit parameter for significantly intense reflections: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No