Information card for entry 7105285

Structure parameters

• Formula: C123 H154 N6 O18 Pd
• Calculated formula: C125 H153 N6 O20 Pd
• SMILES: [Pd]12([n]3c4cccc3C(=O)N1Cc1ccc(OCCOCCOCCOCCOc3ccc(cc3)CN2C4=O)cc1)[n]1c(cccc1/C=C1/N(C(=O)OC1)c1ccc(cc1)C(c1ccc(cc1)C(C)(C)C)(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)/C=C1/N(C(=O)OC1)c1ccc(cc1)C(c1ccc(cc1)C(C)(C)C)(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C.OC.OC.OC.OC.OC.OC.OC.OC.OC
• Title of publication: Successive catalytic reactions specific to Pd-based rotaxane complexes as a result of wheel translation along the axle.
• Authors of publication: Miyagawa, Norihito; Watanabe, Masahiro; Matsuyama, Takanori; Koyama, Yasuhito; Moriuchi, Toshiyuki; Hirao, Toshikazu; Furusho, Yoshio; Takata, Toshikazu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 1920 - 1922
• a: 14.4489 ± 0.0003 Å
• b: 19.9842 ± 0.0003 Å
• c: 23.3978 ± 0.0003 Å
• α: 84.62 ± 0.0015°
• β: 80.225 ± 0.002°
• γ: 69.697 ± 0.002°
• Cell volume: 6239.92 ± 0.18 ų
• Cell temperature: 277.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.3598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No