Information card for entry 7041682

Structure parameters

• Formula: C18 H21 Cl2 Hg N5 O
• Calculated formula: C18 H21 Cl2 Hg N5 O
• SMILES: [Hg]12(Cl)(Cl)[n]3ccccc3C=[N]1CC[N]12CCN(CC1)C(=O)c1ncccc1
• Title of publication: Group 12 metal complexes of (2-piperazine-1-yl-ethyl)-pyridin-2-yl-methylene-amine: rare participation of terminal piperazine N in coordination leads to structural diversity.
• Authors of publication: Purkait, Suranjana; Aullón, Gabriel; Zangrando, Ennio; Chakraborty, Prateeti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2184 - 2195
• a: 8.5501 ± 0.0012 Å
• b: 19.785 ± 0.003 Å
• c: 12.1626 ± 0.0016 Å
• α: 90°
• β: 91.534 ± 0.002°
• γ: 90°
• Cell volume: 2056.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No