Information card for entry 7245457

Structure parameters

• Formula: C30 H36 F2 N8 O3 Ru
• Calculated formula: C30 H36 F2 N8 O3 Ru
• SMILES: [Ru]123([O]=C(c4[n]3cccc4)N)([n]3c(cccc3)Nc3[n]1cccc3)[n]1c(cccc1)Nc1[n]2cccc1.[F-].[F-].C(C)O.C(C)O
• 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: 9.09482 ± 0.00019 Å
• b: 23.8546 ± 0.0005 Å
• c: 16.9383 ± 0.0004 Å
• α: 90°
• β: 103.492 ± 0.002°
• γ: 90°
• Cell volume: 3573.4 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0439
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No