Information card for entry 7228898

Structure parameters

• Common name: Ru-Terpy-dimethyl bipy
• Chemical name: Ru-Terpy-dimethyl bipy
• Formula: C34 H29 Cl F6 N5 P Ru S
• Calculated formula: C34 H29 Cl F6 N5 P Ru S
• SMILES: [Ru]123(Cl)([n]4ccc(cc4c4[n]1ccc(c4)C)C)[n]1c(c4[n]3c(cc(c4)c3ccc(SC)cc3)c3[n]2cccc3)cccc1.[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: 10.991 ± 0.005 Å
• b: 13.475 ± 0.005 Å
• c: 13.856 ± 0.005 Å
• α: 64.503 ± 0.005°
• β: 75.699 ± 0.005°
• γ: 66.929 ± 0.005°
• Cell volume: 1696.5 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No