Information card for entry 7123612

Structure parameters

• Formula: C76 H92 Cl16 N8 Ni2 O Sb2
• Calculated formula: C76 H92 Cl16 N8 Ni2 O Sb2
• 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: 12.7607 ± 0.0011 Å
• b: 17.1587 ± 0.0015 Å
• c: 20.3195 ± 0.0017 Å
• α: 89.078 ± 0.003°
• β: 87.221 ± 0.002°
• γ: 82.48 ± 0.002°
• Cell volume: 4405.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No