Information card for entry 7710439

Structure parameters

• Common name: [Ni(juglophen)]
• Formula: C53 H30 Cl1.88 N4 Ni2 O8
• Calculated formula: C53 H30 Cl1.884 N4 Ni2 O8
• 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: 15.3117 ± 0.0009 Å
• b: 11.8026 ± 0.0007 Å
• c: 22.8954 ± 0.0014 Å
• α: 90°
• β: 102.081 ± 0.002°
• γ: 90°
• Cell volume: 4046 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No