Information card for entry 7710437

Structure parameters

• Chemical name: N-(21,26-dihydroxynaphthalin)-C5,C17-(1-hydroxybenzol)-phenanzin-6-on
• Formula: C28 H22 N2 O6
• Calculated formula: C28 H22 N2 O6
• 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: 17.9509 ± 0.0006 Å
• b: 12.1508 ± 0.0006 Å
• c: 22.0864 ± 0.0011 Å
• α: 90°
• β: 107.443 ± 0.003°
• γ: 90°
• Cell volume: 4595.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No