Information card for entry 4333882

Structure parameters

• Formula: C50 H54 Cl N O P2 Pd
• Calculated formula: C50 H54 Cl N O P2 Pd
• SMILES: [Pd]12(Cl)[P](Cc3cc(cc4c5c(n2c34)c(cc(c5)C(C)(C)C)C[P]1(c1ccccc1)c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals
• Authors of publication: Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2050 - 2059
• a: 12.7237 ± 0.0004 Å
• b: 13.9205 ± 0.0005 Å
• c: 14.7922 ± 0.0004 Å
• α: 63.244 ± 0.003°
• β: 75.697 ± 0.003°
• γ: 68.328 ± 0.003°
• Cell volume: 2163.78 ± 0.14 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 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: 0.0366
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No