Information card for entry 7116826

Structure parameters

• Chemical name: Hg{(DippNacNac)Zn}2
• Formula: C58 H82 Hg N4 Zn2
• Calculated formula: C58 H82 Hg N4 Zn2
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[Zn](N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)[Hg][Zn]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C
• 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: 12.784 ± 0.0001 Å
• b: 17.3101 ± 0.0002 Å
• c: 13.0055 ± 0.0001 Å
• α: 90°
• β: 101.117 ± 0.001°
• γ: 90°
• Cell volume: 2824.01 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0264
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No