Information card for entry 7009135

Structure parameters

• Formula: C16 H32 Cl2 Mn N12 O18
• Calculated formula: C16 H36 Cl2 Mn N12 O26
• SMILES: [O-]Cl(=O)(=O)=O.O.c1(=O)[nH]ccc(n1)N.[Mn]([O]=c1[nH]ccc(n1)N)([O]=c1[nH]ccc(n1)N)([OH2])([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O.O.c1(=O)[nH]ccc(n1)N
• 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: 6.829 ± 0.005 Å
• b: 9.997 ± 0.004 Å
• c: 12.911 ± 0.005 Å
• α: 71.65 ± 0.03°
• β: 87.33 ± 0.05°
• γ: 72.19 ± 0.05°
• Cell volume: 795.3 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 6.87
• Residual factor for significantly intense reflections: 6.86
• Weighted residual factors for all reflections: 9.18
• Weighted residual factors for significantly intense reflections: 9.17
• Goodness-of-fit parameter for significantly intense reflections: 1.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No