Information card for entry 2014185

Structure parameters

• Chemical name: bis(acetato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')mercury(II)
• Formula: C18 H18 Hg N2 O4
• Calculated formula: C18 H6 Hg N2 O4
• SMILES: [Hg]123([n]4c(ccc5ccc6ccc([n]1c6c45)C)C)(OC(C)=[O]2)OC(=[O]3)C
• Title of publication: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) in two differently hydrated crystal forms
• Authors of publication: Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m382 - m385
• a: 8.3619 ± 0.0015 Å
• b: 9.4973 ± 0.0018 Å
• c: 12.349 ± 0.002 Å
• α: 83.167 ± 0.003°
• β: 76.646 ± 0.004°
• γ: 66.027 ± 0.003°
• Cell volume: 871.5 ± 0.3 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: 0.1106
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes