Information card for entry 2004603

Structure parameters

• Formula: C12 H28 N4 Ni O7 S4
• Calculated formula: C12 H28 N4 Ni O7 S4
• Title of publication: 1,4,10,13-Tetrathia-7,16-diazacyclooctadecanenickel(II) Nitrate Hydrate
• Authors of publication: Li, W.-Z.; Wang, J.-L.; Miao, X.-S.; Zhou, Y.; Miao, F.-M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 555 - 557
• a: 17.682 ± 0.004 Å
• b: 10.292 ± 0.003 Å
• c: 11.855 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.4 ± 1 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No