Information card for entry 2204725

Structure parameters

• Chemical name: μ-oxo-bis(μ-2-furancarboxylato)bis(N-methyl-N,N-bis(2-pyridylmethyl)amine) diiron(III) bis(perchlorate) methanol solvate
• Formula: C37 H40 Cl2 Fe2 N6 O16
• Calculated formula: C37 H40 Cl2 Fe2 N6 O16
• Title of publication: μ-Oxo-bis(μ-2-furancarboxylato)bis{[<i>N</i>-methyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amine]iron(III)} bis(perchlorate) methanol solvate
• Authors of publication: Nielsen, Anne.; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1959 - m1960
• a: 16.1111 ± 0.0006 Å
• b: 13.7316 ± 0.0005 Å
• c: 20.1356 ± 0.001 Å
• α: 90°
• β: 111.277 ± 0.001°
• γ: 90°
• Cell volume: 4151 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes