Information card for entry 7119449

Structure parameters

• Formula: C25 H29 Cl F12 Fe N5 P2
• Calculated formula: C25 H29 Cl F12 Fe N5 P2
• SMILES: [Fe]1234(Cl)[n]5c(c6[n]1cccc6)cccc5C[N]12[C@@H]([C@@H]2[N]4(Cc4[n]3cccc4)CCC2)CCC1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)
• Authors of publication: Yanay; Popowski; Israel; Goldberg; Moshe; Kol
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7932
• a: 10.1753 ± 0.001 Å
• b: 16.8389 ± 0.0017 Å
• c: 9.2498 ± 0.0009 Å
• α: 90°
• β: 112.218 ± 0.003°
• γ: 90°
• Cell volume: 1467.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No