Information card for entry 7057678

Structure parameters

• Formula: C14 H32 N18 O4 Pd S4
• Calculated formula: C14 H32 N18 O4 Pd S4
• Title of publication: Improving the density and properties of nitrogen-rich scaffolds by the introduction of a C‒NO2 group
• Authors of publication: Zhao, Gang; He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 16162
• a: 8.0774 ± 0.0006 Å
• b: 9.3329 ± 0.0007 Å
• c: 10.9899 ± 0.0008 Å
• α: 96.638 ± 0.003°
• β: 108.728 ± 0.003°
• γ: 107.974 ± 0.004°
• Cell volume: 724.82 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No