Information card for entry 7042749

Structure parameters

• Formula: C56 H42 N4 O9 P4
• Calculated formula: C56 H42 N4 O9 P4
• SMILES: P1(C(=O)c2nc(ccc2)C(=O)P(C(=O)c2nc(C(=O)P(C(=O)c3nc(ccc3)C(=O)P(c3ccccc3)C(=O)c3nc(ccc3)C1=O)c1ccccc1)ccc2)c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: First examples of tri- and tetraphosphametacyclophanes: synthesis and isolation of an unusual hexapalladium complex containing pincer units with Pd—P covalent bonds
• Authors of publication: Kashid, Vitthal S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji Shivaramaiah
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.92 ± 0.0003 Å
• b: 19.0391 ± 0.0008 Å
• c: 20.9881 ± 0.0006 Å
• α: 90°
• β: 97.725 ± 0.002°
• γ: 90°
• Cell volume: 5115.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1322
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No