Information card for entry 7233257

Structure parameters

• Formula: C19.01 H22.36 N2.34 O11.34 Tb
• Calculated formula: C18 H20 N2 O11 Tb
• Title of publication: Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework
• Authors of publication: Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 35
• Pages of publication: 5292
• a: 10.661 ± 0.0013 Å
• b: 11.0866 ± 0.0011 Å
• c: 13.1016 ± 0.0015 Å
• α: 100.439 ± 0.01°
• β: 112.923 ± 0.012°
• γ: 98.339 ± 0.009°
• Cell volume: 1362.3 ± 0.3 ų
• Cell temperature: 360 K
• Ambient diffraction temperature: 360 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: 0.113
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.2788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7142 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No