Information card for entry 4302958

Structure parameters

• Chemical name: catena-(bis(mu-6-mercaptopurinato-N,S,S)nickel(II) dihydrate)
• Formula: C10 H10 N8 Ni O2 S2
• Calculated formula: C10 H6 N8 Ni O2 S2
• Title of publication: Synthesis of Designed Conductive One-Dimensional Coordination Polymers of Ni(II) with 6-Mercaptopurine and 6-Thioguanine
• Authors of publication: Pilar Amo-Ochoa; Oscar Castillo; Simone S. Alexandre; Lorena Welte; Pedro J. de Pablo; M Isabel Rodríguez-Tapiador; Julio Gómez-Herrero; Félix Zamora
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7931 - 7936
• a: 3.677 ± 0.0005 Å
• b: 9.1056 ± 0.0011 Å
• c: 11.121 ± 0.002 Å
• α: 111.246 ± 0.011°
• β: 95.74 ± 0.01°
• γ: 99.951 ± 0.013°
• Cell volume: 336.41 ± 0.09 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: 0.1292
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.671
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No