Information card for entry 7202781

Structure parameters

• Common name: Compound 4
• Formula: C5 H3 Br2 Cl2 Hg N
• Calculated formula: C5 H3 Br2 Cl2 Hg N
• Title of publication: Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.
• Authors of publication: Hu, Chunhua; Kalf, Irmgard; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 603
• a: 4.0533 ± 0.0009 Å
• b: 17.987 ± 0.004 Å
• c: 13.77 ± 0.003 Å
• α: 90°
• β: 90.315 ± 0.005°
• γ: 90°
• Cell volume: 1003.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No