Information card for entry 2312762

Structure parameters

• Chemical name: Tris(2'-deoxy-6-thioguanosine)nickel(II) dinitrate dihydrate
• Formula: C30 H43 N17 Ni O17 S3
• Calculated formula: C30 H39 N17 Ni O17 S3
• Title of publication: Synthesis and crystal structure of a nickel(II) 2'-deoxy-6-thioguanosine nitrate complex.
• Authors of publication: Hribesh, Samira O.; Clegg, William; Harrington, Ross W.; Houlton, Andrew; Pike, Andrew R.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 165 - 169
• a: 24.185 ± 0.004 Å
• b: 24.185 ± 0.004 Å
• c: 6.6341 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3360.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes