Information card for entry 7036378

Structure parameters

• Common name: C21 H16 N3 Nd2 O15.50
• Formula: C21 H16 N3 Nd2 O15.5
• Calculated formula: C21 H15 N3 Nd2 O15.5
• Title of publication: Dual emission tunable in the near-infrared (NIR) and visible (VIS) spectral range by mix-LnMOF.
• Authors of publication: de Jesus, Roberta Anjos; da Luz, Leonis Lourenço; Santos, Danilo Oliveira; Costa, José Arnaldo Santana; Navickiene, Sandro; Gatto, Claudia Cristina; Júnior, Severino Alves; de Mesquita, Maria Eliane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17318 - 17325
• a: 10.9748 ± 0.0002 Å
• b: 17.4692 ± 0.0002 Å
• c: 13.3874 ± 0.0002 Å
• α: 90°
• β: 101.23 ± 0.001°
• γ: 90°
• Cell volume: 2517.5 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No