Information card for entry 7224924

Structure parameters

• Common name: bis(quinolinium) tetrabromocadmate(II) monohydrate
• Chemical name: bis(quinolinium) tetrabromocadmate(II) monohydrate
• Formula: C18 H20 Br4 Cd N2 O2
• Calculated formula: C18 H20 Br4 Cd N2 O2
• SMILES: c12ccccc1ccc[nH+]2.O.Br[Cd](Br)([Br-])[Br-].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: 12.5712 ± 0.0012 Å
• b: 10.2622 ± 0.0009 Å
• c: 18.6905 ± 0.0018 Å
• α: 90°
• β: 101.379 ± 0.003°
• γ: 90°
• Cell volume: 2363.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No