Information card for entry 7228899

Structure parameters

• Common name: Ru-Terpy- bipy
• Chemical name: Ru-Terpy-bipy
• Formula: C32 H25 Cl F6 N5 P Ru S
• Calculated formula: C32 H25 Cl F6 N5 P Ru S
• SMILES: [Ru]123(Cl)([n]4c(c5[n]3cccc5)cccc4)[n]3c(c4[n]1cccc4)cc(cc3c1[n]2cccc1)c1cc[c]([S]C)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, crystal structure and water oxidation activity of [Ru(terpy)(bipy)Cl]+ complexes: influence of ancillary ligands on O2 generation
• Authors of publication: Dhiman, Rekha; Singh, Namita; Ugale, Bharat; Nagaraja, C. M.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 62
• Pages of publication: 39325
• a: 13.0582 ± 0.0006 Å
• b: 19.8028 ± 0.0009 Å
• c: 11.9764 ± 0.0006 Å
• α: 90°
• β: 97.347 ± 0.002°
• γ: 90°
• Cell volume: 3071.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.2014
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No