Information card for entry 7114018

Structure parameters

• Formula: C124 H218 N44 O85 Pd8
• Calculated formula: C124 H136 N44 O85 Pd8
• Title of publication: Spectroscopic and crystallographic studies on the stability of self-assembled coordination nanotubesElectronic supplementary information (ESI) available: Crystallography section; Figs. S1???9: 1H, 13C, H???H and C???H COSY NMR spectra for 2b??314+(isomer A) and 2a??420+. See http://www.rsc.org/suppdata/cc/b2/b205194j/
• Authors of publication: Aoyagi, Masaru; Tashiro, Shohei; Tominaga, Masahide; Biradha, Kumar; Fujita, Makoto
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2036
• a: 17.549 ± 0.002 Å
• b: 20.344 ± 0.003 Å
• c: 29.84 ± 0.004 Å
• α: 107.271 ± 0.003°
• β: 91.243 ± 0.003°
• γ: 114.438 ± 0.003°
• Cell volume: 9133 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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 all reflections: 0.1823
• Residual factor for significantly intense reflections: 0.1318
• Weighted residual factors for significantly intense reflections: 0.3226
• Weighted residual factors for all reflections included in the refinement: 0.3368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No