Information card for entry 7037308

Structure parameters

• Formula: C47 H57 F6 Fe2 N2 O3 P S2
• Calculated formula: C47 H57 F6 Fe2 N2 O3 P S2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Fe]1234567([Fe]89%10%11([S]1CC)([S]2CC)([O]=C(O3)c1ccc(NC(=O)NCc2c3ccccc3cc3ccccc23)cc1)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)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: 17.6823 ± 0.0006 Å
• b: 15.2698 ± 0.0005 Å
• c: 18.2002 ± 0.0007 Å
• α: 90°
• β: 105.609 ± 0.002°
• γ: 90°
• Cell volume: 4732.9 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1543
• 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