Information card for entry 4515862

Structure parameters

• Formula: C67 H54 Cl2 N6 O8 Ru
• Calculated formula: C67 H54 Cl2 N6 O8 Ru
• SMILES: [Ru]1234([n]5c(c6[n]4cccc6)cc(cc5c4[n]3cccc4)c3ccc(/C=C/c4ccc(cc4)C)cc3)[n]3c(cc(cc3c3[n]1cccc3)c1ccc(/C=C/c3ccc(cc3)C)cc1)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].c1c(cccc1)C
• Title of publication: Synthesis, Photophysics, and Switchable Luminescence Properties of a New Class of Ruthenium(II)-Terpyridine Complexes Containing Photoisomerizable Styrylbenzene Units.
• Authors of publication: Pal, Poulami; Mukherjee, Shruti; Maity, Dinesh; Baitalik, Sujoy
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 14526 - 14537
• a: 19.593 ± 0.005 Å
• b: 17.367 ± 0.005 Å
• c: 18.153 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.269 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5866 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No