Information card for entry 4003174

Structure parameters

• Formula: C50 H38 Br Cu2 I2 N6 O2
• Calculated formula: C50 H38 Br Cu2 I2 N6 O2
• 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: 23.8814 ± 0.001 Å
• b: 12.9205 ± 0.0005 Å
• c: 17.5755 ± 0.0007 Å
• α: 90°
• β: 112.522 ± 0.002°
• γ: 90°
• Cell volume: 5009.5 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No