Information card for entry 4075986

Structure parameters

• Formula: C45 H56 N2 P2 Zn
• Calculated formula: C45 H56 N2 P2 Zn
• SMILES: [Zn]1([N](=P(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)c2c(N1P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)cccc2)CCC
• Title of publication: Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2
• Authors of publication: Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5287
• a: 23.224 ± 0.003 Å
• b: 10.7711 ± 0.0012 Å
• c: 16.0211 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4007.6 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No