Information card for entry 4341521

Structure parameters

• Formula: C41.29 H32.59 Cl2.59 N12 Ni
• Calculated formula: C41.296 H32.592 Cl2.592 N12 Ni
• 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: 17.3591 ± 0.0003 Å
• b: 27.8741 ± 0.0005 Å
• c: 17.7477 ± 0.0003 Å
• α: 90°
• β: 102.715 ± 0.0019°
• γ: 90°
• Cell volume: 8377 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2599
• Weighted residual factors for all reflections included in the refinement: 0.2906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No