Information card for entry 7127918

Structure parameters

• Formula: C30 H26 Br4 N6 Ni2
• Calculated formula: C30 H26 Br4 N6 Ni2
• 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: 7.136 ± 0.0003 Å
• b: 8.8312 ± 0.0003 Å
• c: 13.1888 ± 0.0005 Å
• α: 72.909 ± 0.002°
• β: 79.406 ± 0.002°
• γ: 87.141 ± 0.002°
• Cell volume: 780.9 ± 0.05 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0203
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No