Information card for entry 7045304

Structure parameters

• Formula: C34 H24 Cl2 Co N4
• Calculated formula: C34 H24 Cl2 Co N4
• SMILES: [Co]123(Cl)(Cl)[n]4c(cccc4C(=C(c4ccccc4)c4ccccc4)c4[n]2c(c2[n]1cccc2)ccc4)c1[n]3cccc1
• Title of publication: A fluorescent turn-on probe for cyanide anion detection based on an AIE active cobalt(ii) complex.
• Authors of publication: Gabr, Moustafa T.; Pigge, F. Christopher
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 2079 - 2085
• a: 8.7245 ± 0.0017 Å
• b: 23.515 ± 0.005 Å
• c: 13.894 ± 0.003 Å
• α: 90°
• β: 91.65 ± 0.03°
• γ: 90°
• Cell volume: 2849.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No