Information card for entry 4342540

Structure parameters

• Formula: C24 H38 Cl F2 N Ni P2
• Calculated formula: C24 H34 Cl F2 N Ni P2
• SMILES: [Ni]12([P](c3cc(F)ccc3N2c2ccc(F)cc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)Cl
• Title of publication: Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.
• Authors of publication: Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2916 - 2935
• a: 13.3934 ± 0.0011 Å
• b: 17.5025 ± 0.0014 Å
• c: 21.7018 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5087.3 ± 0.7 ų
• Cell temperature: 436 ± 2 K
• Ambient diffraction temperature: 436 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No