Information card for entry 7714282

Structure parameters

• Formula: C99 H108 B4 Cl2 F16 Fe2 N6 O4 P4 Ru
• Calculated formula: C99 H108 B4 Cl2 F16 Fe2 N6 O4 P4 Ru
• SMILES: [Ru]([N]#C[Fe]12345([P](c6ccccc6)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[c]1([c]2([c]4([c]5([c]31C)C)C)C)C)([N]#C[Fe]12345([P](c6ccccc6)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[c]1([c]4(C)[c]3([c]2([c]51C)C)C)C)([n]1ccc(OC)cc1)([n]1ccc(OC)cc1)([n]1ccc(OC)cc1)[n]1ccc(OC)cc1.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification
• Authors of publication: Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.8285 ± 0.0002 Å
• b: 15.42782 ± 0.00019 Å
• c: 28.5354 ± 0.0003 Å
• α: 96.4022 ± 0.0009°
• β: 101.32 ± 0.0012°
• γ: 91.2395 ± 0.0012°
• Cell volume: 5497.71 ± 0.13 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.2895
• Weighted residual factors for all reflections included in the refinement: 0.2998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No