Information card for entry 7202602

Structure parameters

• Formula: C34 H30 Cl5 N O3 P2 Pd
• Calculated formula: C34 H30 Cl5 N O3 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)CN(c2cc(ccc2O)C(=O)O)C[P]1(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes
• Authors of publication: Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 165
• a: 9.657 ± 0.005 Å
• b: 9.83 ± 0.005 Å
• c: 21.63 ± 0.005 Å
• α: 86.346 ± 0.005°
• β: 82.333 ± 0.005°
• γ: 69.59 ± 0.005°
• Cell volume: 1906.9 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0777
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No