Information card for entry 7202606

Structure parameters

• Formula: C37 H41 Cl2 N O5 P2 Pd S2
• Calculated formula: C37 H41 Cl2 N O5 P2 Pd S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CN(c2cc(ccc2O)C(=O)O)C[P](c2ccccc2)(c2ccccc2)[Pd]1(Cl)Cl.CS(C)=O.CS(C)=O
• 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: 12.6157 ± 0.0004 Å
• b: 31.5085 ± 0.0008 Å
• c: 9.9021 ± 0.0002 Å
• α: 90°
• β: 93.629 ± 0.001°
• γ: 90°
• Cell volume: 3928.21 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No