Information card for entry 7202600

Structure parameters

• Formula: C34 H33 Cl2 N O4 P2 Pd
• Calculated formula: C34 H33 Cl2 N O4 P2 Pd
• SMILES: [Pd]1([P](CN(C[P]1(c1ccccc1)c1ccccc1)c1ccc(O)c(c1)C(=O)O)(c1ccccc1)c1ccccc1)(Cl)Cl.CO
• 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: 12.4716 ± 0.0003 Å
• b: 16.8605 ± 0.0004 Å
• c: 16.8411 ± 0.0004 Å
• α: 90°
• β: 108.148 ± 0.001°
• γ: 90°
• Cell volume: 3365.14 ± 0.14 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: 0.055
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No