Information card for entry 1556995

Structure parameters

• Common name: LMOF-231-F0.2; Zn2(tcbpe)0.8(tcbpe-F)0.2
• Chemical name: LMOF-305
• Formula: C54 H31.2 F0.8 O8 Zn2
• Calculated formula: C54 H31.2 F0.8 O8 Zn2
• Title of publication: Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs
• Authors of publication: Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1814 - 1824
• a: 37.1066 ± 0.0017 Å
• b: 31.0733 ± 0.0015 Å
• c: 11.8903 ± 0.0006 Å
• α: 90°
• β: 99.208 ± 0.002°
• γ: 90°
• Cell volume: 13533.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2374
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No