Information card for entry 4031976

Structure parameters

• Formula: C66.5 H72 B2 Cl4 F8 N4 P2 Pd2
• Calculated formula: C66.5 H72 B2 Cl4 F8 N4 P2 Pd2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[P](N(C=[N]3c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)[P](N(C=[N]2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl.c1(ccccc1)C
• Title of publication: A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.
• Authors of publication: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 846 - 853
• a: 11.291 ± 0.006 Å
• b: 13.841 ± 0.007 Å
• c: 21.603 ± 0.01 Å
• α: 82.724 ± 0.008°
• β: 80.839 ± 0.013°
• γ: 87.563 ± 0.012°
• Cell volume: 3305 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No