Information card for entry 7005451

Structure parameters

• Common name: PSM-168
• Formula: C138 H138 F9 Fe3 N3 O26 P6 Pd3 S3
• Calculated formula: C138 H96 F9 Fe3 N3 O26 P6 Pd3 S3
• Title of publication: Self-assembly of a heterometallic molecular triangle using an ambidentate ligand and self-selection for a single linkage isomer
• Authors of publication: Ghosh, Sushobhan; Turner, David R.; Batten, Stuart R.; Mukherjee, Partha Sarathi
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1869
• a: 49.293 ± 0.009 Å
• b: 23.145 ± 0.004 Å
• c: 25.561 ± 0.005 Å
• α: 90°
• β: 106.793 ± 0.003°
• γ: 90°
• Cell volume: 27919 ± 9 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.1248
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No