Information card for entry 4329941

Structure parameters

• Formula: C14 H30 Br2 Hg N2
• Calculated formula: C14 H30 Br2 Hg N2
• SMILES: Br[Hg]1(Br)[N](C)(C)[C@@H]2CCCC[C@H]2[N]1(C)CCCCC
• Title of publication: Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury
• Authors of publication: Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8516 - 8523
• a: 8.7499 ± 0.0006 Å
• b: 15.8447 ± 0.0009 Å
• c: 13.4635 ± 0.0011 Å
• α: 90°
• β: 92.018 ± 0.008°
• γ: 90°
• Cell volume: 1865.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0909
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No