Information card for entry 7706206

Structure parameters

• Formula: C24 H15 N5 O2 Zn
• Calculated formula: C24 H15 N5 O2 Zn
• Title of publication: 1,3-Bis(pyridineylidene)isoindoline: an isoindoline chelate with a stretched electronic structure.
• Authors of publication: Gaire, Sanjay; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 826 - 829
• a: 7.9525 ± 0.0011 Å
• b: 10.8324 ± 0.0015 Å
• c: 12.7721 ± 0.0019 Å
• α: 69.282 ± 0.008°
• β: 75.267 ± 0.009°
• γ: 83.931 ± 0.009°
• Cell volume: 995.1 ± 0.3 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: 0.1511
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No