Information card for entry 7022876

Structure parameters

• Formula: C24 H43 Br P2 Pd
• Calculated formula: C24 H43 Br P2 Pd
• SMILES: c12c3cccc2C[P]([Pd]1([P](C3)(C(C)(C)C)C(C)(C)C)Br)(C(C)(C)C)C(C)(C)C
• Title of publication: Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.
• Authors of publication: Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8484 - 8491
• a: 16.4222 ± 0.0006 Å
• b: 16.4222 ± 0.0006 Å
• c: 19.3446 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4518.1 ± 0.3 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No