Information card for entry 4075988

Structure parameters

• Formula: C44 H54 Cl2 N2 O0.5 P2 Zn
• Calculated formula: C44 H54 Cl2 N2 O0.5 P2 Zn
• SMILES: [Zn]1(Cl)(Cl)[N](=P(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)c2ccccc2[N]1=P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1
• 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: 36.134 ± 0.005 Å
• b: 12.9004 ± 0.0019 Å
• c: 22.125 ± 0.003 Å
• α: 90°
• β: 124.682 ± 0.002°
• γ: 90°
• Cell volume: 8481 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No