Information card for entry 1559887

Structure parameters

• Formula: C20 H14 N2 Ni O2
• Calculated formula: C20 H14 N2 Ni O2
• SMILES: [Ni]123Oc4c(C=[N]3c3c([N]2=Cc2c(O1)cccc2)cccc3)cccc4
• Title of publication: Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set
• Authors of publication: Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong
• Journal of publication: Journal of Chemical Education
• Year of publication: 2020
• a: 5.36239 ± 0.00009 Å
• b: 16.6313 ± 0.0003 Å
• c: 17.2165 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1535.43 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No