Information card for entry 4064145

Structure parameters

• Formula: C21 H24 Cl2 Hg N2
• Calculated formula: C21 H24 Cl2 Hg N2
• SMILES: [Hg](Cl)(Cl)=C1N(C=CN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C
• Title of publication: “Oxide Route” for the Preparation of Mercury(II) N-Heterocyclic Carbene Complexes
• Authors of publication: Pelz, Simon; Mohr, Fabian
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 383
• a: 7.9365 ± 0.0004 Å
• b: 15.8303 ± 0.0007 Å
• c: 8.5548 ± 0.0004 Å
• α: 90°
• β: 99.253 ± 0.004°
• γ: 90°
• Cell volume: 1060.82 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No