Information card for entry 2311983

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'-[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C30 H30 N6 O8 S2 Zn2
• Calculated formula: C30 H30 N6 O8 S2 Zn2
• SMILES: [Zn](OS(=O)(=O)O[Zn]([n]1ccccc1)(OS(=O)(=O)O[Zn]([n]1ccccc1)([n]1ccccc1)(OS(=O)(=O)[O-])([n]1ccccc1)[n]1ccccc1)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OS(=O)(=O)O[Zn]([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: First-row transition metal-pyridine (py)-sulfate [(py)_xM](SO₄) complexes (M = Ni, Cu and Zn): crystal field theory in action.
• Authors of publication: Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 3
• Pages of publication: 263 - 268
• a: 10.5383 ± 0.001 Å
• b: 10.5383 ± 0.001 Å
• c: 26.135 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2513.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No