Information card for entry 7121445

Structure parameters

• Formula: C45 H40 N5 O9 Yb
• Calculated formula: C45 H40 N5 O9 Yb
• Title of publication: Lanthanide-based near-infrared emitting metal-organic frameworks with tunable excitation wavelengths and high quantum yields.
• Authors of publication: Nguyen, Tu N.; Capano, Gloria; Gładysiak, Andrzej; Ebrahim, Fatmah Mish; Eliseeva, Svetlana V.; Chidambaram, Arunraj; Valizadeh, Bardiya; Petoud, Stéphane; Smit, Berend; Stylianou, Kyriakos C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6816 - 6819
• a: 10.1601 ± 0.0001 Å
• b: 17.5813 ± 0.0001 Å
• c: 22.5318 ± 0.0003 Å
• α: 90°
• β: 96.213 ± 0.001°
• γ: 90°
• Cell volume: 4001.17 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0383
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.72179 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No