Information card for entry 7203920

Structure parameters

• Chemical name: N,N'-ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)nickel(II)
• Formula: C36 H34 N2 Ni O2
• Calculated formula: C36 H34 N2 Ni O2
• SMILES: [Ni]123OC(=CC(=[N]2CC[N]3=C(C=C(O1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Conformational flexibility and role of aromatic–aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases
• Authors of publication: Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 777
• a: 10.035 ± 0.003 Å
• b: 12.473 ± 0.003 Å
• c: 12.724 ± 0.004 Å
• α: 69.94 ± 0.03°
• β: 81.79 ± 0.03°
• γ: 83.42 ± 0.03°
• Cell volume: 1477 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No