Information card for entry 4332446

Structure parameters

• Formula: C10 H16 Ca Cd N8 O6 S2
• Calculated formula: C10 H16 Ca Cd N8 O6 S2
• 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: 13.864 ± 0.002 Å
• b: 16.701 ± 0.002 Å
• c: 8.278 ± 0.001 Å
• α: 90°
• β: 104.27 ± 0.01°
• γ: 90°
• Cell volume: 1857.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No