Information card for entry 7038959

Structure parameters

• Formula: C52 H39 F12 N7 Ni2 O11
• Calculated formula: C52 H39 F12 N7 Ni2 O11
• Title of publication: Dinickel complexes with anthyridine-based ligands.
• Authors of publication: Huang, Da-Wei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8265 - 8271
• a: 20.1055 ± 0.0006 Å
• b: 18.0229 ± 0.0005 Å
• c: 15.0825 ± 0.0005 Å
• α: 90°
• β: 90.727 ± 0.003°
• γ: 90°
• Cell volume: 5464.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No