Information card for entry 7202603

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(c2c(O)cccc2C(=O)O)C[P]1(c1ccccc1)c1ccccc1.ClC(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: 10.4008 ± 0.0002 Å
• b: 10.906 ± 0.0002 Å
• c: 17.6929 ± 0.0005 Å
• α: 91.922 ± 0.001°
• β: 102.16 ± 0.001°
• γ: 117.036 ± 0.001°
• Cell volume: 1728.13 ± 0.07 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: 0.0359
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No