Information card for entry 7025262

Structure parameters

• Formula: C63 H60 F18 N15 P3 Pd3
• Calculated formula: C63 H60 F18 N15 P3 Pd3
• SMILES: c1cc(C)cc2c3cc(C)cc[n]3[Pd]3([n]12)n1c[n](c2c1cccc2)[Pd]1([n]2c(c4cc(cc[n]14)C)cc(C)cc2)n1c[n]([Pd]2([n]4ccc(C)cc4c4[n]2ccc(C)c4)[n]2cn3c3ccccc23)c2c1cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
• Title of publication: Self-assembly of bowl-like trinuclear metallo-macrocycles.
• Authors of publication: Ning, Guo-Hong; Xie, Ting-Zheng; Pan, Yuan-Jiang; Li, Yi-Zhi; Yu, Shu-Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 13
• Pages of publication: 3203 - 3211
• a: 31.371 ± 0.006 Å
• b: 18.99 ± 0.004 Å
• c: 12.262 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7305 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No