Information card for entry 7202605

Structure parameters

• Formula: C40 H47 Cl2 N O7 P2 Pd S3
• Calculated formula: C40 H47 Cl2 N O7 P2 Pd S3
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)CN(C[P]1(c1ccccc1)c1ccccc1)c1cc(c(cc1)C(=O)O)C(=O)O.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C
• 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: 12.3355 ± 0.0002 Å
• b: 13.5157 ± 0.0003 Å
• c: 14.6704 ± 0.0002 Å
• α: 67.561 ± 0.001°
• β: 86.733 ± 0.001°
• γ: 80.258 ± 0.001°
• Cell volume: 2228.03 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0568
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No