Information card for entry 7037891

Structure parameters

• Formula: C32 H46 Cl4 Fe2 N8 O3
• Calculated formula: C32 H46 Cl4 Fe2 N8 O3
• SMILES: C1C[N]23Cc4cccc[n]4[Fe]43([N]1(CC[N]1(CC[N]35Cc6cccc[n]6[Fe]15(O4)([n]1c(C3)cccc1)Cl)C)C)([n]1c(C2)cccc1)Cl.[Cl-].O.[Cl-].O
• Title of publication: Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.
• Authors of publication: Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3340 - 3361
• a: 15.9941 ± 0.001 Å
• b: 15.4161 ± 0.001 Å
• c: 15.6472 ± 0.001 Å
• α: 90°
• β: 109.858 ± 0.003°
• γ: 90°
• Cell volume: 3628.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No