Information card for entry 4080787

Structure parameters

• Formula: C24 H22 N4 Ni2 S4
• Calculated formula: C24 H22 N4 Ni2 S4
• SMILES: [Ni]12([S]=[C]2=S)[n]2ccccc2C(=[N]1Cc1ccc(C[N]2[Ni]3([S]=[C]3=S)[n]3c(C=2C)cccc3)cc1)C
• Title of publication: Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands
• Authors of publication: Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 2952
• a: 9.2043 ± 0.0014 Å
• b: 17.587 ± 0.003 Å
• c: 15.385 ± 0.002 Å
• α: 90°
• β: 93.694 ± 0.007°
• γ: 90°
• Cell volume: 2485.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1727
• Residual factor for significantly intense reflections: 0.1366
• Weighted residual factors for significantly intense reflections: 0.3172
• Weighted residual factors for all reflections included in the refinement: 0.3279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No