Information card for entry 2240332

Structure parameters

• Chemical name: Bis(3-bromopyridine-κ<i>N</i>)bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Formula: C16 H18 Br2 N2 Ni O2 S4
• Calculated formula: C16 H18 Br2 N2 Ni O2 S4
• SMILES: [Ni]12([n]3cc(ccc3)Br)([n]3cc(ccc3)Br)([S]=C(OCC)S1)[S]=C(OCC)S2
• Title of publication: Crystal structure of bis(3-bromopyridine-κ<i>N</i>)bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Kant, Rajni; Kour, Gurvinder; Anthal, Sumati; Neerupama; Sachar, Renu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: m12 - m13
• a: 6.8397 ± 0.0007 Å
• b: 9.1952 ± 0.0008 Å
• c: 9.7562 ± 0.001 Å
• α: 76.121 ± 0.008°
• β: 73.935 ± 0.009°
• γ: 78.517 ± 0.008°
• Cell volume: 566.59 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes