Information card for entry 2243164

Structure parameters

• Chemical name: μ-Aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-diphenylacetato-κ^4^<i>O</i>:<i>O</i>'-\ bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(diphenylacetato-κ<i>O</i>)\ nickel(II)]‒acetonitrile‒diphenylacetic acid (1/2.5/1)
• Formula: C95 H81.5 N6.5 Ni2 O11
• Calculated formula: C95 H81.5 N6.5 Ni2 O11
• Title of publication: Crystal structures of two dimeric nickel diphenylacetate complexes
• Authors of publication: Nikiforov, A. A.; Blinou, D. O.; Dubrov, E. N.; Panina, N. S.; Ponyaev, A. I.; Gurzhiy, V. V.; Eremin, A. V.; Fischer, A. I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1768 - 1773
• a: 15.6064 ± 0.0003 Å
• b: 17.744 ± 0.0004 Å
• c: 17.9143 ± 0.0004 Å
• α: 70.462 ± 0.002°
• β: 69.631 ± 0.002°
• γ: 64.726 ± 0.002°
• Cell volume: 4103.17 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes