Information card for entry 7107532

Structure parameters

• Formula: C12 H26 Cl2 N4 O2 Pd
• Calculated formula: C12 H26 Cl2 N4 O2 Pd
• SMILES: [Pd]1([N]([C@H](C(=O)NC)C)(C)CC[N]1(C)[C@@H](C)C(=O)NC)(Cl)Cl
• Title of publication: Helicity Inversion from Left- to Right-Handed Square Planar Pd(II) Complexes: Synthesis of a Diastereomer Pair from a Single Chiral Ligand and their Structure Dynamism
• Authors of publication: Hiroyuki Miyake; Masashi Ueda; Saori Murota; Hideki Sugimoto; Hiroshi Tsukube
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3721
• a: 10.2009 ± 0.001 Å
• b: 12.1922 ± 0.0015 Å
• c: 13.7244 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No