Information card for entry 7127919

Structure parameters

• Formula: C30 H24 N8 Ni2 O2
• Calculated formula: C30 H24 N8 Ni2 O2
• SMILES: [Ni]12(n3[n]([Ni]4(n5[n]2c(cc5c2[n]4c(ccc2)C)c2ccccc2)N=O)c(cc3c2[n]1c(ccc2)C)c1ccccc1)N=O
• Title of publication: A proton-responsive ligand becomes a dimetal linker for multisubstrate assembly <i>via</i> nitrate deoxygenation.
• Authors of publication: Cabelof, Alyssa C.; Carta, Veronica; Caulton, Kenneth G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 22
• Pages of publication: 2780 - 2783
• a: 14.0747 ± 0.0015 Å
• b: 8.1646 ± 0.001 Å
• c: 24.161 ± 0.003 Å
• α: 90°
• β: 96.931 ± 0.004°
• γ: 90°
• Cell volume: 2756.2 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No