Information card for entry 7224939

Structure parameters

• Common name: bis(phenazine) diaqua-dibromo-zinc(II) monohydrate
• Chemical name: bis(phenazine) diaqua-dibromo-zinc(II) monohydrate
• Formula: C24 H22 Br2 N4 O3 Zn
• Calculated formula: C24 H22 Br2 N4 O3 Zn
• SMILES: [OH2][Zn]([OH2])(Br)Br.O.c12ccccc1nc1ccccc1n2.c12ccccc1nc1ccccc1n2
• 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: 6.917 ± 0.0007 Å
• b: 16.4068 ± 0.0015 Å
• c: 21.562 ± 0.002 Å
• α: 90°
• β: 92.213 ± 0.002°
• γ: 90°
• Cell volume: 2445.2 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No