Information card for entry 7202599

Structure parameters

• Formula: C35.66667 H35.66667 Cl2 N O3.66667 P2 Pd
• Calculated formula: C35.6667 H35.6667 Cl2 N O3.66667 P2 Pd
• SMILES: C1N(C[P](c2ccccc2)(c2ccccc2)[Pd]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccc(cc1C(=O)O)O.O(CC)CC
• 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: 28.5307 ± 0.0004 Å
• b: 31.9677 ± 0.0006 Å
• c: 12.612 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11502.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No