Information card for entry 7048925

Structure parameters

• Formula: C217 H168 Nd2 O26 S5
• Calculated formula: C217 H165 Nd2 O26 S5
• Title of publication: Photophysical investigation of near infrared emitting lanthanoid complexes incorporating tris(2-naphthoyl)methane as a new antenna ligand.
• Authors of publication: Abad Galán, Laura; Wada, Satoshi; Cameron, Lee; Sobolev, Alexandre N.; Hasegawa, Yasuchika; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 3768 - 3776
• a: 13.2128 ± 0.0004 Å
• b: 17.3769 ± 0.0004 Å
• c: 20.8146 ± 0.0004 Å
• α: 89.837 ± 0.002°
• β: 75.481 ± 0.002°
• γ: 85.908 ± 0.002°
• Cell volume: 4614 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No