Information card for entry 2311981

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C20 H20 N4 Ni O4 S
• Calculated formula: C20 H20 N4 Ni O4 S
• 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: 9.637 ± 0.0009 Å
• b: 18.0065 ± 0.0018 Å
• c: 12.4723 ± 0.0013 Å
• α: 90°
• β: 109.396 ± 0.003°
• γ: 90°
• Cell volume: 2041.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.044
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No