Information card for entry 4342722

Structure parameters

• Formula: C12 H14 F6 N3 O2 P Ru
• Calculated formula: C12 H14 F6 N3 O2 P Ru
• SMILES: [Ru]1234567(OC(=O)[C@@H]([NH2]1)Cc1[n]2c[nH]c1)[cH]1[cH]3[cH]4[cH]5[cH]6[cH]71.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.
• Authors of publication: Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3118 - 3124
• a: 6.1049 ± 0.0002 Å
• b: 9.2278 ± 0.0002 Å
• c: 26.4164 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1488.16 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No