Information card for entry 4003181

Structure parameters

• Formula: C54 H44 Cu2 I2 N8 O2
• Calculated formula: C54 H44 Cu2 I2 N8 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: 12.5823 ± 0.0008 Å
• b: 13.544 ± 0.0008 Å
• c: 17.5152 ± 0.0011 Å
• α: 68.665 ± 0.002°
• β: 89.462 ± 0.002°
• γ: 64.914 ± 0.002°
• Cell volume: 2480.6 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No