Information card for entry 7003426

Structure parameters

• Formula: C64 H60 Cl2 F6 N2 O6 P4 Pd2 S2
• Calculated formula: C64 H60 Cl2 F6 N2 O6 P4 Pd2 S2
• SMILES: Cl[Pd]12[P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)c1ccc(cc1)[N]12[Pd](Cl)([P](CC1)(c1ccccc1)c1ccccc1)[P](CC2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: A hemilabile binucleating pincer ligand for self-assembly of coordination oligomers and polymers
• Authors of publication: Zhao, Chang-Qiu; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1243 - 1250
• a: 31.9519 ± 0.0005 Å
• b: 12.4261 ± 0.0002 Å
• c: 17.321 ± 0.0003 Å
• α: 90°
• β: 111.707 ± 0.001°
• γ: 90°
• Cell volume: 6389.41 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No