Information card for entry 4323624

Structure parameters

• Common name: [3]-pseudorotaxane complex
• Formula: C102 H94 Cu2 F12 N9 O14 P2
• Calculated formula: C102 H94 Cu2 F12 N9 O14 P2
• SMILES: [Cu]12([n]3c(c4ccccc4)cccc3c3[n]1[n]1[Cu]4([n]5c(c1cc3)cccc5c1ccccc1)[n]1c3c5ccc(cc5)OCCOCCOCCOCCOCCOc5ccc(c6[n]4c4c1c(cc3)ccc4cc6)cc5)[n]1c3c4ccc(cc4)OCCOCCOCCOCCOCCOc4ccc(c5[n]2c2c1c(cc3)ccc2cc5)cc4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C.N(=O)(=O)C
• Title of publication: Multicomponent Self-Assembly: Generation of Rigid-Rack Multimetallic Pseudorotaxanes
• Authors of publication: Hanadi Sleiman; Paul N. W. Baxter; Jean-Marie Lehn; Karri Airola; Kari Rissanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4734 - 4742
• a: 13.199 ± 0.002 Å
• b: 25.264 ± 0.001 Å
• c: 31.072 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10361 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections: 0.278
• Weighted residual factors for significantly intense reflections: 0.2422
• Goodness-of-fit parameter for all reflections: 1.759
• Goodness-of-fit parameter for significantly intense reflections: 1.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No