Information card for entry 7028353

Structure parameters

• Formula: C16 H14 N2 Ni Se2
• Calculated formula: C16 H14 N2 Ni Se2
• SMILES: c12C=[N]3[Ni]4([Se]c2cccc1)[Se]c1ccccc1C=[N]4CC3
• 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: 10.398 ± 0.006 Å
• b: 12.088 ± 0.007 Å
• c: 12.955 ± 0.007 Å
• α: 71.269 ± 0.013°
• β: 86.197 ± 0.018°
• γ: 82.699 ± 0.014°
• Cell volume: 1529 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1216
• 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: No