Information card for entry 7710438

Structure parameters

• Common name: Juglophen
• Formula: C27 H18 Cl2 N2 O4
• Calculated formula: C27 H18 Cl2 N2 O4
• SMILES: ClCCl.Oc1cccc2C(=O)C=CC(=N\c3c(/N=C4\C=CC(=O)c5cccc(O)c45)cccc3)/c12
• Title of publication: Juglophen: a tetradentate non-innocent electron sponge naphthoquinone-imine ligand and its reduced and oxidized nickel complexes [Ni(jp)]^-,0,+ .
• Authors of publication: Schumann, Henrik; Klein, Marius; Prinzisky, Christian; Burghaus, Olaf; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9348 - 9356
• a: 8.132 ± 0.0003 Å
• b: 15.8283 ± 0.0006 Å
• c: 17.4326 ± 0.0007 Å
• α: 90°
• β: 94.582 ± 0.002°
• γ: 90°
• Cell volume: 2236.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No