Information card for entry 4003173

Structure parameters

• Formula: C50 H39 Cu2 F I2 N6 O3
• Calculated formula: C50 H39 Cu2 F I2 N6 O3
• Title of publication: Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner
• Authors of publication: Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 5349
• a: 12.681 ± 0.003 Å
• b: 13.34 ± 0.003 Å
• c: 17.761 ± 0.004 Å
• α: 69.389 ± 0.009°
• β: 89.016 ± 0.01°
• γ: 63.4 ± 0.009°
• Cell volume: 2478.9 ± 1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No