Information card for entry 7703385

Structure parameters

• Formula: C47 H65 Gd N4 O6
• Calculated formula: C47 H65 Gd N4 O6
• Title of publication: First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.
• Authors of publication: Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2431 - 2436
• a: 13.4029 ± 0.0002 Å
• b: 15.2786 ± 0.0002 Å
• c: 26.4644 ± 0.0004 Å
• α: 90°
• β: 91.693 ± 0.001°
• γ: 90°
• Cell volume: 5416.95 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No