Information card for entry 4332447

Structure parameters

• Formula: C20 H24 Cd2 N20 O16 S4
• Calculated formula: C20 H24 Cd2 N20 O16 S4
• SMILES: N(=O)(=O)[O-].N(=O)(=O)[O-].c12[n]3c[nH]c1nc[nH]c2=[S]1[Cd]23([OH2])([n]3c4c(nc[nH]c4=[S]2)[nH]c3)[S]2=c3c4c(nc[nH]3)[nH]c[n]4[Cd]312([n]1c2c(nc[nH]c2=[S]3)[nH]c1)[OH2].O.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Assembling of Dimeric Entities of Cd(II) with 6-Mercaptopurine to Afford One-Dimensional Coordination Polymers: Synthesis and Scanning Probe Microscopy Characterization
• Authors of publication: Amo-Ochoa, Pilar; Rodríguez-Tapiador, M Isabel; Castillo, Oscar; Olea, David; Guijarro, Alejandro; Alexandre, Simone S.; Gómez-Herrero, Julio; Zamora, Félix
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7642 - 7650
• a: 7.294 ± 0.002 Å
• b: 10.73 ± 0.003 Å
• c: 12.796 ± 0.003 Å
• α: 110.08 ± 0.02°
• β: 95.45 ± 0.02°
• γ: 96.82 ± 0.02°
• Cell volume: 924 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1243
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No