Information card for entry 7706006

Structure parameters

• Formula: C9 H14 N4 Ni S4
• Calculated formula: C9 H14 N4 Ni S4
• SMILES: C1(=[N]2N=C(CC(C)=[N]3N=C(S[Ni]23S1)SC)C)SC
• Title of publication: Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions.
• Authors of publication: Bilyj, Jessica K.; Silajew, Nicole V.; Bernhardt, Paul V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 612 - 623
• a: 7.698 ± 0.002 Å
• b: 21.736 ± 0.005 Å
• c: 8.525 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1426.4 ± 0.6 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No