Information card for entry 1519786

Structure parameters

• Formula: C40 H28 I2 N8 Ni
• Calculated formula: C40 H28 I2 N8 Ni
• SMILES: I[Ni]12(I)([n]3nc(c(nc3c3[n]1cccc3)c1ccccc1)c1ccccc1)[n]1nc(c(nc1c1[n]2cccc1)c1ccccc1)c1ccccc1
• Title of publication: C40H28I2N8Ni1
• Authors of publication: Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 242
• a: 25.0178 ± 0.001 Å
• b: 8.8338 ± 0.0002 Å
• c: 16.5583 ± 0.0006 Å
• α: 90°
• β: 97.264 ± 0.002°
• γ: 90°
• Cell volume: 3630.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No