Information card for entry 7037894

Structure parameters

• Formula: C45 H60 Cl2 Fe2 N4 O5
• Calculated formula: C45 H60 Cl2 Fe2 N4 O5
• SMILES: C1[N]2(CC[N]34Cc5c(c(cc(c5)C)C)O[Fe]24(Oc2c(C3)cc(cc2C)C)O[Fe]234[N](C1)(CC[N]2(Cc1c(c(cc(c1)C)C)O3)Cc1c(O4)c(cc(c1)C)C)C)C.ClCCl
• 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: 17.5005 ± 0.0009 Å
• b: 11.7785 ± 0.0006 Å
• c: 21.6508 ± 0.0011 Å
• α: 90°
• β: 97.697 ± 0.001°
• γ: 90°
• Cell volume: 4422.7 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1248
• 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