Information card for entry 4302959

Structure parameters

• Chemical name: catena-(bis(mu-6-thioguaninato-N,S,S)nickel(II) dihydrate)
• Formula: C10 H12 N10 Ni O2 S2
• Calculated formula: C10 H8 N10 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: 3.646 ± 0.002 Å
• b: 9.715 ± 0.006 Å
• c: 11.298 ± 0.006 Å
• α: 110.28 ± 0.05°
• β: 96.95 ± 0.04°
• γ: 100.66 ± 0.04°
• Cell volume: 361.4 ± 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: 0.1628
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.695
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No