Information card for entry 2008252

Structure parameters

• Formula: C8 H20 N6 Ni S2
• Calculated formula: C8 H20 N6 Ni S2
• SMILES: S=C=N[Ni]12(N=C=S)([NH2]CCC[NH2]1)[NH2]CCC[NH2]2
• Title of publication: Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II)
• Authors of publication: Moore, Stephanie L.; Philip J. Squattrito
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 332 - 334
• a: 7.579 ± 0.002 Å
• b: 17.55 ± 0.002 Å
• c: 11.111 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1477.9 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 2.12
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No