Information card for entry 7202787

Structure parameters

• Common name: Compound 9b
• Formula: C14 H18 Hg I2 N2
• Calculated formula: C14 H18 Hg I2 N2
• SMILES: [Hg](I)(I)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C
• 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: 8.2309 ± 0.0006 Å
• b: 9.1784 ± 0.0007 Å
• c: 13.092 ± 0.001 Å
• α: 79.229 ± 0.003°
• β: 88.173 ± 0.003°
• γ: 74.877 ± 0.003°
• Cell volume: 937.83 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No