Information card for entry 2006997

Structure parameters

• Chemical name: poly[N-(2-aminoethyl)-N-methyl-1,2-ethanediamine-κ^3^N]-μ-isothiocyanato- N:S-isothiocyanatonickel(II)
• Formula: C7 H15 N5 Ni S2
• Calculated formula: C7 H15 N5 Ni S2
• SMILES: [Ni]12(N=C=S)(N=C=S)([NH2]CC[N]1(C)CC[NH2]2)[S]=C=N[Ni]12(N=C=S)[NH2]CC[N]1(C)CC[NH2]2
• Title of publication: A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine
• Authors of publication: Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 208 - 210
• a: 15.476 ± 0.003 Å
• b: 6.649 ± 0.001 Å
• c: 24.08 ± 0.005 Å
• α: 90°
• β: 93.42 ± 0.02°
• γ: 90°
• Cell volume: 2473.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.108
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No