Information card for entry 7009132

Structure parameters

• Formula: C30 H56 Cl2 Mn N18 O21
• Calculated formula: C30 H54 Cl2 Mn N18 O21
• SMILES: Cn1c(=O)nc(cc1)N.[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O.Cn1c(=O)nc(cc1)N.Cn1c(=O)nc(cc1)N.O.Cn1c(=O)nc(cc1)N.[O-]Cl(=O)(=O)=O.Cn1c(=O)nc(cc1)N.Cn1c(=O)nc(cc1)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: 7.511 ± 0.002 Å
• b: 32.346 ± 0.006 Å
• c: 10.526 ± 0.003 Å
• α: 90°
• β: 104.78 ± 0.02°
• γ: 90°
• Cell volume: 2472.7 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 11.58
• Residual factor for significantly intense reflections: 5.53
• Weighted residual factors for all reflections: 7.37
• Weighted residual factors for significantly intense reflections: 6.33
• Goodness-of-fit parameter for significantly intense reflections: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No