Information card for entry 7016406

Structure parameters

• Formula: C31 H23 F3 Ni O5 P2 S
• Calculated formula: C31 H23 F3 Ni O5 P2 S
• Title of publication: The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).
• Authors of publication: Salah, Abderrahmen B.; Zargarian, Davit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8977 - 8985
• a: 8.8415 ± 0.0013 Å
• b: 12.5965 ± 0.0019 Å
• c: 13.563 ± 0.002 Å
• α: 95.864 ± 0.002°
• β: 91.903 ± 0.002°
• γ: 92.098 ± 0.002°
• Cell volume: 1500.6 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No