Information card for entry 7116483

Structure parameters

• Formula: C22 H42 Br N Ni P2
• Calculated formula: C22 H42 Br N Ni P2
• SMILES: [Ni]12(Br)[P](Cc3n2c(cc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].
• Authors of publication: Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 14
• Pages of publication: 2946
• a: 11.4257 ± 0.0002 Å
• b: 14.471 ± 0.0003 Å
• c: 15.0601 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2490.06 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No