Information card for entry 7037309

Structure parameters

• Formula: C47 H57 F6 N2 O3 P Ru2 S2
• Calculated formula: C47 H57 F6 N2 O3 P Ru2 S2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ru]1234567([Ru]89%10%11([S]1CC)([S]2CC)([O]=C(O3)c1ccc(NC(=O)NCc2c3ccccc3cc3ccccc23)cc1)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• Title of publication: Highly selective fluorescence sensors for the fluoride anion based on carboxylate-bridged diiron complexes.
• Authors of publication: Zhou, Yuhan; Dong, Xiaoliang; Zhang, Yixin; Tong, Peng; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6839 - 6846
• a: 9.5698 ± 0.0003 Å
• b: 33.4071 ± 0.0011 Å
• c: 15.0363 ± 0.0005 Å
• α: 90°
• β: 99.255 ± 0.001°
• γ: 90°
• Cell volume: 4744.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No