Information card for entry 4302075

Structure parameters

• Formula: C118 H144 F18 N14 O38 Pd2 S6
• Calculated formula: C118 H144 F18 N14 O38 Pd2 S6
• SMILES: c1cc2cc[n]1[Pd]1([NH2]CC[NH2]1)[n]1ccc(c3ccc(C[n+]4ccc(c5cc[n](cc5)[Pd]5([n]6ccc(c7ccc(C[n+]8ccc2cc8)cc7)cc6)[NH2]CC[NH2]5)cc4)cc3)cc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].N#CC.N#CC.O1c2ccc(cc2)OCCOCCOCCOCCOc2ccc(OCCOCCOCCOCC1)cc2.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].N#CC.N#CC.O1c2ccc(cc2)OCCOCCOCCOCCOc2ccc(OCCOCCOCCOCC1)cc2
• Title of publication: Regioselective Catenation of Dinuclear Palladium and Platinum Metallocycles Promoted by π...π Interactions
• Authors of publication: Víctor Blanco; Dolores Abella; Elena Pía; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4098 - 4107
• a: 15.496 ± 0.003 Å
• b: 20.953 ± 0.004 Å
• c: 20.969 ± 0.004 Å
• α: 90°
• β: 95.94 ± 0.004°
• γ: 90°
• Cell volume: 6772 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1059
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No