Information card for entry 7224934

Structure parameters

• Common name: bis(quinolinium) tetracholoromercurate(II) monohydrate
• Chemical name: bis(quinolinium) tetracholoromercurate(II) monohydrate
• Formula: C18 H20 Cl4 Hg N2 O2
• Calculated formula: C18 H20 Cl4 Hg N2 O2
• SMILES: c12ccccc1ccc[nH+]2.O.Cl[Hg](Cl)([Cl-])[Cl-].c12ccccc1ccc[nH+]2.O
• Title of publication: Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations
• Authors of publication: Slabbert, C.; Rademeyer, M.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4555
• a: 12.0377 ± 0.0009 Å
• b: 9.9002 ± 0.0007 Å
• c: 18.3254 ± 0.0013 Å
• α: 90°
• β: 100.72 ± 0.002°
• γ: 90°
• Cell volume: 2145.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0127
• Residual factor for significantly intense reflections: 0.0119
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No