Information card for entry 7039497

Structure parameters

• Formula: C16 H11 Cl Hg I2 N2
• Calculated formula: C16 H11 Cl Hg I2 N2
• Title of publication: Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.
• Authors of publication: Khavasi, Hamid Reza; Kavand, Sima
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10761 - 10770
• a: 7.4201 ± 0.0005 Å
• b: 8.7404 ± 0.0005 Å
• c: 28.185 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1827.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No