Information card for entry 1543510

Structure parameters

• Formula: C18 H40 N6 Ni S2
• Calculated formula: C18 N6 Ni S2
• SMILES: [Ni]12(N=C=S)([NH](CC[NH]1CCC)CCC)([NH](CC[NH]2CCC)CCC)N=C=S
• Title of publication: Syntheses and Characterization of N,N'-Dipropyl-1,2-ethanediamine and N,N'-diisopropyl-1,2-ethanediamine Complexes of Nickel(II): Thermal Studies and X-Ray Single Crystal Structure Analysis of [Ni(N,N'-Dipropyl-1,2-ethanediamine)2(NCS)2]
• Authors of publication: Laskar, Inamur Rahaman; Das, Debasis; Mostafa, Golam; Welch, Alan J.; Chaudhuri, Nirmalendu Ray
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 702 - 708
• a: 9.246 ± 0.009 Å
• b: 9.2633 ± 0.0005 Å
• c: 14.465 ± 0.0008 Å
• α: 90°
• β: 92.082 ± 0.005°
• γ: 90°
• Cell volume: 1238.1 ± 1.2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No