Information card for entry 4347957

Structure parameters

• Formula: C56 H84 N4 O4
• Calculated formula: C56 H84 N4 O4
• SMILES: C1CN(CCN(CCN(CCN1Cc1c(O)c(cc(c1)C)C(C)(C)C)Cc1c(O)c(cc(c1)C)C(C)(C)C)Cc1c(c(cc(c1)C)C(C)(C)C)O)Cc1cc(cc(c1O)C(C)(C)C)C
• Title of publication: Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex.
• Authors of publication: Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6609 - 6615
• a: 10.3798 ± 0.0016 Å
• b: 10.4741 ± 0.0018 Å
• c: 13.053 ± 0.002 Å
• α: 84.364 ± 0.008°
• β: 68.693 ± 0.006°
• γ: 76.419 ± 0.008°
• Cell volume: 1285 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No