Information card for entry 4338995

Structure parameters

• Formula: C25 H27 Cl5 N4 Ni Se2
• Calculated formula: C25 H27 Cl5 N4 Ni Se2
• SMILES: [Ni]1(Cl)(Cl)[n]2c([Se][Se]c3[n]1ccn3c1c(cc(cc1C)C)C)n(cc2)c1c(cc(cc1C)C)C.ClC(Cl)Cl
• Title of publication: Applications of bis(1-R-imidazol-2-yl)disulfides and diselenides as ligands for main-group and transition metals: kappa2-(N,N) coordination, S-S bond cleavage, and S-S/E-E (E = S, Se) bond metathesis reactions.
• Authors of publication: Figueroa, Joshua S.; Yurkerwich, Kevin; Melnick, Jonathan; Buccella, Daniela; Parkin, Gerard
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9234 - 9244
• a: 8.6691 ± 0.0008 Å
• b: 14.2662 ± 0.0015 Å
• c: 25.323 ± 0.003 Å
• α: 90°
• β: 96.84 ± 0.002°
• γ: 90°
• Cell volume: 3109.5 ± 0.6 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No