Information card for entry 7116484

Structure parameters

• Formula: C50 H90 Hg N2 Ni2 P4
• Calculated formula: C50 H90 Hg N2 Ni2 P4
• SMILES: [Hg]([Ni]12[P](Cc3n2c(cc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Ni]12[P](Cc3n2c(cc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.c1ccccc1
• 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: 13.9339 ± 0.0005 Å
• b: 16.4179 ± 0.0005 Å
• c: 24.9947 ± 0.0008 Å
• α: 108.376 ± 0.003°
• β: 96.539 ± 0.003°
• γ: 97.87 ± 0.003°
• Cell volume: 5299.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No