Information card for entry 7028351

Structure parameters

• Formula: C16 H14 N2 Ni S2
• Calculated formula: C16 H14 N2 Ni S2
• SMILES: [Ni]123Sc4c(C=[N]2CC[N]3=Cc2ccccc2S1)cccc4
• Title of publication: Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.
• Authors of publication: Dutta, Pradip Kr; Asatkar, Ashish K.; Zade, Sanjio S.; Panda, Snigdha
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1736 - 1743
• a: 8.95 ± 0.0007 Å
• b: 22.688 ± 0.002 Å
• c: 7.5123 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1525.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No