Information card for entry 2008200

Structure parameters

• Common name: Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine
• Chemical name: Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine
• Formula: C18 H38 N10 Ni2 S4
• Calculated formula: C18 H38 N10 Ni2 S4
• SMILES: C1CC[N]2(C)CCC[NH2][Ni]32([NH2]1)(N=C=[S][Ni]12([NH2]CCC[N]1(C)CCC[NH2]2)(N=C=[S]3)N=C=S)N=C=S
• Title of publication: A dimeric form of the nickel(II) thiocyanate complex of bis(3-aminopropyl)methylamine
• Authors of publication: Mukherjee, Alok K.; Nayak, Nirmalya P.; Mondal, Arunendu; Chaudhuri, Nirmalendu Ray
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 365 - 368
• a: 7.72 ± 0.006 Å
• b: 13.72 ± 0.001 Å
• c: 15.161 ± 0.003 Å
• α: 63.3 ± 0.01°
• β: 88.1 ± 0.05°
• γ: 86.56 ± 0.05°
• Cell volume: 1432 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 1.216
• Goodness-of-fit parameter for significantly intense reflections: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No