Information card for entry 7116825

Structure parameters

• Chemical name: [Zn(DIPPNacNac)(Fp)]
• Formula: C36 H46 Fe N2 O2 Zn
• Calculated formula: C36 H46 Fe N2 O2 Zn
• SMILES: [Zn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Synthesis, molecular and electronic structure, and reactions of a Zn-Hg-Zn bonded complex
• Authors of publication: Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5743
• a: 20.9493 ± 0.0002 Å
• b: 14.21072 ± 0.0001 Å
• c: 22.37442 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6660.97 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No