Information card for entry 7042750

Structure parameters

• Formula: C40 H26 Cl2 N3 O6 P3
• Calculated formula: C40 H26 Cl2 N3 O6 P3
• SMILES: P1(C(=O)c2nc(C(=O)P(C(=O)c3nc(C(=O)P(c4ccccc4)C(=O)c4nc(ccc4)C1=O)ccc3)c1ccccc1)ccc2)c1ccccc1.ClCCl
• 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: 8.896 ± 0.0005 Å
• b: 13.1019 ± 0.0006 Å
• c: 16.2731 ± 0.0007 Å
• α: 93.834 ± 0.004°
• β: 96.273 ± 0.004°
• γ: 106.767 ± 0.005°
• Cell volume: 1795.52 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No