Information card for entry 7111355

Structure parameters

• Common name: Pd(ii) complex.ether
• Formula: C100 H88 F16 N6 O10 Pd
• Calculated formula: C100 H88 F16 N6 O10 Pd
• SMILES: c1cc2cc[n]1[Pd]1([n]3ccc(cc3)Cc3c(c(c(c(c3F)F)c3cc(ccc3)c3cc(ccc3)c3cc(ccc3)c3c(c(c(c(c3F)F)Cc3cc[n]1cc3)F)F)F)F)[n]1ccc(cc1)Cc1c(c(c(c3cc(c4cc(c5cc(c6c(c(c(C2)c(c6F)F)F)F)ccc5)ccc4)ccc3)c(c1F)F)F)F.N(=O)(=O)[O-].CCOCC.CCOCC.N(=O)(=O)[O-].C(C)OCC.CCOCC
• Title of publication: A circular tris[2]catenane from molecular ?figure-of-eight?Electronic supplementary information (ESI) available: physical properties of 1 and CSI-MS data for 1, (1)2, and (1)3. See http://www.rsc.org/suppdata/cc/b4/b407108e/
• Authors of publication: Hori, Akiko; Yamashita, Ken-ichi; Kusukawa, Takahiro; Akasaka, Akihiko; Biradha, Kumar; Fujita, Makoto
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 1798 - 1799
• a: 15.485 ± 0.003 Å
• b: 9.562 ± 0.002 Å
• c: 30.234 ± 0.006 Å
• α: 90°
• β: 104.052 ± 0.004°
• γ: 90°
• Cell volume: 4342.7 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1821
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No