Information card for entry 7224937

Structure parameters

• Common name: bis(phenazinium) tetrabromocadmate(II) dihydrate
• Chemical name: bis(phenazinium) tetrabromocadmate(II) dihydrate
• Formula: C24 H21 Br4 Cd N4 O2
• Calculated formula: C24 H21 Br4 Cd N4 O2
• SMILES: c12ccccc1nc1[c]cccc1[nH+]2.c12ccccc1nc1ccccc1[nH+]2.Br[Cd](Br)([Br-])[Br-].O.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: 16.693 ± 0.0015 Å
• b: 13.4439 ± 0.0012 Å
• c: 12.7863 ± 0.0011 Å
• α: 90°
• β: 106.754 ± 0.002°
• γ: 90°
• Cell volume: 2747.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No