Information card for entry 7036965

Structure parameters

• Formula: C28 H19 Cl2 N5 O4 Ru
• Calculated formula: C28 H19 Cl2 N5 O4 Ru
• SMILES: [Ru]123(OC4=C(Cl)C(=O)C(=O)C(=C4O1)Cl)([n]1c(cccc1)c1[n]3cccc1)[n]1c(cccc1)c1[n]2cccc1.[N](#[C])C
• Title of publication: A sequential logic gate-based "smart probe" for selective monitoring of Cu(2+), Fe(3+) and CN(-)/F(-)via differential analyses.
• Authors of publication: Singh, Alok Kumar; Nagarajan, Rajamani
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19786 - 19790
• a: 9.608 ± 0.005 Å
• b: 9.713 ± 0.005 Å
• c: 14.956 ± 0.005 Å
• α: 97.457 ± 0.005°
• β: 99.221 ± 0.005°
• γ: 104.685 ± 0.005°
• Cell volume: 1311.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0942
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No