Information card for entry 7706207

Structure parameters

• Formula: C25 H19 Cl Cu N6 O5
• Calculated formula: C25 H19 Cl Cu N6 O5
• 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: 8.025 Å
• b: 28.235 Å
• c: 10.565 Å
• α: 90°
• β: 101.66°
• γ: 90°
• Cell volume: 2344.48 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2303
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No