Information card for entry 4350301

Structure parameters

• Formula: C116 H180 Eu2 N6 O36 S8
• Calculated formula: C116 H166 Eu2 N6 O36 S8
• Title of publication: Conformation-controlled luminescent properties of lanthanide clusters containing p-tert-butylsulfonylcalix[4]arene.
• Authors of publication: Kajiwara, Takashi; Katagiri, Kensuke; Hasegawa, Miki; Ishii, Ayumi; Ferbinteanu, Marilena; Takaishi, Shinya; Ito, Tasuku; Yamashita, Masahiro; Iki, Nobuhiko
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 4880 - 4882
• a: 17.1149 ± 0.0006 Å
• b: 14.5303 ± 0.0006 Å
• c: 26.5117 ± 0.0011 Å
• α: 90°
• β: 95.791 ± 0.001°
• γ: 90°
• Cell volume: 6559.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1162
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No