Information card for entry 4132568

Structure parameters

• Formula: C16 H22 Cl2 N2 O6 Pd S2
• Calculated formula: C16 H22 Cl2 N2 O6 Pd S2
• SMILES: C(=O)(c1cc[n](cc1)[Pd]([n]1ccc(C(=O)O)cc1)(Cl)Cl)O.O=S(C)C.O=S(C)C
• Title of publication: Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.
• Authors of publication: Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10814 - 10819
• a: 5.5954 ± 0.0004 Å
• b: 8.3386 ± 0.0006 Å
• c: 12.7456 ± 0.0008 Å
• α: 99.2697 ± 0.0018°
• β: 101.056 ± 0.0019°
• γ: 98.754 ± 0.002°
• Cell volume: 565.64 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 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: 0.025
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No