Information card for entry 7224935

Structure parameters

• Common name: tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)
• Chemical name: tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)
• Formula: C42 H37 I2 N3 O2 Zn
• Calculated formula: C42 H37 I2 N3 O2 Zn
• SMILES: c12ccccc1cc1ccccc1n2.c12ccccc1cc1ccccc1n2.c12ccccc1cc1ccccc1n2.C(C)(C)[OH][Zn](I)(I)[OH2]
• 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: 11.4956 ± 0.0003 Å
• b: 21.8349 ± 0.0007 Å
• c: 15.5772 ± 0.0005 Å
• α: 90°
• β: 93.772 ± 0.001°
• γ: 90°
• Cell volume: 3901.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No