Information card for entry 4341522

Structure parameters

• Formula: C46 H36 N14 Ni O2
• Calculated formula: C46 H36 N14 Ni O2
• Title of publication: Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.
• Authors of publication: Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10070 - 10084
• a: 9.8514 ± 0.0002 Å
• b: 13.9696 ± 0.0003 Å
• c: 16.7096 ± 0.0004 Å
• α: 100.835 ± 0.0018°
• β: 98.0479 ± 0.0018°
• γ: 91.2391 ± 0.0018°
• Cell volume: 2233.62 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0814
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No