Information card for entry 7012774

Structure parameters

• Formula: C21 H14 Fe N6 O6
• Calculated formula: C21 H14 Fe N6 O6
• 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: 10.54 ± 0.007 Å
• b: 10.754 ± 0.008 Å
• c: 10.977 ± 0.009 Å
• α: 84.22 ± 0.09°
• β: 63.69 ± 0.08°
• γ: 67.82 ± 0.08°
• Cell volume: 1029.5 ± 1.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No