Information card for entry 2001210

Structure parameters

• Formula: C16 H22 N4 Ni O7 S2
• Calculated formula: C16 H22 N4 Ni O7 S2
• Title of publication: Aqua[1,8-di(2-pyridyl)-3,6-dithiaoctane-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>'](nitrato-<i>O</i>)nickel(II) nitrate
• Authors of publication: Bermejo, E.; Castiñeiras, A.; Domínguez, R.; Strähle, J.; Hiller, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1918 - 1920
• a: 7.4764 ± 0.0005 Å
• b: 14.938 ± 0.0007 Å
• c: 9.7315 ± 0.0003 Å
• α: 90°
• β: 110.022 ± 0.004°
• γ: 90°
• Cell volume: 1021.15 ± 0.09 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 0.74
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No