Information card for entry 7042639

Structure parameters

• Formula: C10 H24 N2 Na2 O14 Pd S2
• Calculated formula: C10 H24 N2 Na2 O14 Pd S2
• SMILES: c1cccc2[n]1[Pd]([n]1ccccc21)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].O.O.[Na+].O.O.O.O.O.O
• Title of publication: Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners
• Authors of publication: Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.9785 ± 0.0003 Å
• b: 11.4585 ± 0.0004 Å
• c: 14.226 ± 0.0005 Å
• α: 80.189 ± 0.003°
• β: 88.135 ± 0.003°
• γ: 76.622 ± 0.003°
• Cell volume: 1090.47 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No