Information card for entry 7012775

Structure parameters

• Formula: C11 H8 Fe N4 O7
• Calculated formula: C11 H8 Fe N4 O7
• Title of publication: Diversity of the coordination modes of Croconate Violet. Crystal structures, spectroscopic characterization and redox studies of mono-, di- and poly-nuclear iron(ii) complexesElectronic supplementary information (ESI) available: Table S1, hydrogen bonding interactions in the complexes. See http://www.rsc.org/suppdata/dt/b3/b300960m/
• Authors of publication: Soula, Brigitte; Galibert, Anne Marie; Donnadieu, Bruno; Fabre, Paul-Louis
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2449
• a: 6.9599 ± 0.0008 Å
• b: 10.9174 ± 0.0011 Å
• c: 11.2349 ± 0.0012 Å
• α: 108.533 ± 0.013°
• β: 101.44 ± 0.013°
• γ: 106.686 ± 0.012°
• Cell volume: 734.85 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No