Information card for entry 1519735

Structure parameters

• Formula: C11 H11 Fe N4 O10
• Calculated formula: C11 H11 Fe N4 O10
• SMILES: c1cccc2c3cccc4C(=O)O[Fe]5([n]12)([n]34)([OH2])([OH2])ON(=[O]5)=O.N(=O)(=O)[O-]
• Title of publication: C11H11FeN4O10
• Authors of publication: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 988
• a: 12.463 ± 0.005 Å
• b: 10.797 ± 0.001 Å
• c: 22.201 ± 0.005 Å
• α: 90°
• β: 91.765 ± 0.002°
• γ: 90°
• Cell volume: 2986 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No