Information card for entry 7160168

Structure parameters

• Formula: C30 H41 Cl2 N3 O5 Pd S
• Calculated formula: C30 H41 Cl2 N3 O5 Pd S
• Title of publication: A macrocycle-based new organometallic nano-vessel towards sustainable C2-selective arylation of free indole in water.
• Authors of publication: Mandal, Subham; Sarkar, Piyali; Ghosh, Pradyut
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 36
• Pages of publication: 7438 - 7447
• a: 8.576 ± 0.003 Å
• b: 38.304 ± 0.013 Å
• c: 10.469 ± 0.004 Å
• α: 90°
• β: 109.747 ± 0.01°
• γ: 90°
• Cell volume: 3237 ± 2 ų
• Cell temperature: 140.02 K
• Ambient diffraction temperature: 140.02 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No