Information card for entry 7118197

Structure parameters

• Formula: C75 H96 N4 O10 Pd Si
• Calculated formula: C75 H96 N4 O10 Pd Si
• SMILES: [Pd]12([n]3c4cc(cc3C(=O)N2Cc2ccc(cc2)OCCCCC=CCCCCOc2ccc(CN1C4=O)cc2)CO)[n]1c2cc(cc1COCc1ccc(cc1)OCCCCCCCCCCOc1ccc(COC2)cc1)OCC#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Catenane-based mechanically-linked block copolymers.
• Authors of publication: Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2149 - 2152
• a: 39.473 ± 0.013 Å
• b: 12.053 ± 0.0016 Å
• c: 35.42 ± 0.012 Å
• α: 90°
• β: 114.26 ± 0.04°
• γ: 90°
• Cell volume: 15364 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1694
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2565
• 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