Information card for entry 7245458

Structure parameters

• Formula: C26 H29 Cl2 N8 O3.5 Ru
• Calculated formula: C26 H24 Cl2 N8 O Ru
• SMILES: [Ru]123([O]=C(N)c4[n]3cccc4)([n]3c(Nc4[n]1cccc4)cccc3)[n]1c(Nc3[n]2cccc3)cccc1.[Cl-].[Cl-]
• Title of publication: Colorimetric fluoride detection in dimethyl sulfoxide using a heteroleptic ruthenium(ii) complex with amino and amide groups: X-ray crystallographic and spectroscopic analyses
• Authors of publication: Toyama, Mari; Hasegawa, Tomoki; Nagao, Noriharu
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 25227 - 25239
• a: 9.102 ± 0.0002 Å
• b: 10.5348 ± 0.0003 Å
• c: 17.402 ± 0.0004 Å
• α: 99.448 ± 0.002°
• β: 102.616 ± 0.002°
• γ: 99.741 ± 0.002°
• Cell volume: 1569.4 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0832
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No