Information card for entry 7707456

Structure parameters

• Formula: C28 H21 N O
• Calculated formula: C28 H21 N O
• SMILES: O(c1ccc(c2c3c(c(c4c2cccc4)/C=C/c2ccncc2)cccc3)cc1)C
• Title of publication: An unprecedented pyridine-based dinuclear mixed-valent Re^I/VII oxo-bridged complex: a solvatochromic and AIE-active probe for nanomolar detection of picric acid and trinitrotoluene.
• Authors of publication: Mukherjee, Atasi; Bhattacharya, Suman; Chakravarty, Manab
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 9144 - 9157
• a: 8.8676 ± 0.0002 Å
• b: 9.3703 ± 0.0003 Å
• c: 13.3026 ± 0.0003 Å
• α: 79.212 ± 0.002°
• β: 70.852 ± 0.002°
• γ: 71.28 ± 0.002°
• Cell volume: 984.8 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No