Information card for entry 7016409

Structure parameters

• Formula: C38 H28 Ni O2 P2
• Calculated formula: C38 H28 Ni O2 P2
• 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: 19.5871 ± 0.001 Å
• b: 14.6211 ± 0.0007 Å
• c: 10.5024 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3007.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No