Information card for entry 7123611

Structure parameters

• Formula: C76 H92 Cl18 N8 Ni2 Sb4
• Calculated formula: C76 H92 Cl18 N8 Ni2 Sb4
• Title of publication: Counter Ion Triggers Stabilization of Two Geometrical Isomers of a Ni(II)dication Diradical Porphyrin Dimer: Role of Anion-π Interactions
• Authors of publication: Pandey, Anjani Kumar; Usman, Mohammad; Rath, Sankar Prasad
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.437 ± 0.005 Å
• b: 13.261 ± 0.005 Å
• c: 15.817 ± 0.005 Å
• α: 65.236 ± 0.005°
• β: 78.258 ± 0.005°
• γ: 86.781 ± 0.005°
• Cell volume: 2318 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No