Information card for entry 2233153

Structure parameters

• Chemical name: Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-3-carbonitrile- κ<i>N</i>^1^)nickel(II)
• Formula: C18 H18 N4 Ni O2 S4
• Calculated formula: C18 H18 N4 Ni O2 S4
• SMILES: c1cc[n]([Ni]23([S]=C(OCC)S3)([S]=C(OCC)S2)[n]2cc(ccc2)C#N)cc1C#N
• Title of publication: Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-3-carbonitrile-κ<i>N</i>^1^)nickel(II)
• Authors of publication: Kapoor, Sanjay; Kour, Ramandeep; Sachar, Renu; Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m58
• a: 6.7302 ± 0.0002 Å
• b: 18.8959 ± 0.0005 Å
• c: 8.7242 ± 0.0002 Å
• α: 90°
• β: 95.916 ± 0.002°
• γ: 90°
• Cell volume: 1103.58 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes