Information card for entry 7026104

Structure parameters

• Formula: C29 H28 Cl3 N2 O2 P Pd
• Calculated formula: C29 H28 Cl3 N2 O2 P Pd
• SMILES: [Pd]1([P](c2ccccc2C=[N]1CC(=O)Nc1ccc(O)cc1)(c1ccccc1)c1ccccc1)(Cl)C.C(Cl)Cl
• Title of publication: Flexible kappa4-PNN'O-tetradentate ligands: synthesis, complexation and structural studies.
• Authors of publication: Durran, Sean E.; Elsegood, Mark R. J.; Hammond, Shelly R.; Smith, Martin B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7136 - 7146
• a: 13.6159 ± 0.0006 Å
• b: 13.2505 ± 0.0006 Å
• c: 16.1783 ± 0.0007 Å
• α: 90°
• β: 95.7566 ± 0.0008°
• γ: 90°
• Cell volume: 2904.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No