Information card for entry 2229668

Structure parameters

• Chemical name: {4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato- κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)
• Formula: C31 H23 Br N Ni O P S
• Calculated formula: C31 H23 Br N Ni O P S
• SMILES: [Ni]12(Oc3c(cc(Br)cc3)C=[N]2c2c(S1)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: {4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato-κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)
• Authors of publication: Tamizh, M. Muthu; Karvembu, R.; Varghese, B.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m441
• a: 9.7197 ± 0.0002 Å
• b: 18.7729 ± 0.0006 Å
• c: 29.8372 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5444.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes