Information card for entry 7002735

Structure parameters

• Formula: C20 H26 Fe2 N24 O8
• Calculated formula: C20 H26 Fe2 N24 O8
• SMILES: [Fe]12(n3nnnc3c3[n]1cccn3)(n1nnnc1c1[n]2cccn1)(O[Fe]12(n3nnnc3c3[n]1cccn3)(n1nnnc1c1[n]2cccn1)[OH2])[OH2].O.O.O.O.O
• Title of publication: Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes
• Authors of publication: Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9578 - 9586
• a: 10.3468 ± 0.0005 Å
• b: 11.8734 ± 0.0006 Å
• c: 15.161 ± 0.0008 Å
• α: 70.358 ± 0.001°
• β: 77.846 ± 0.001°
• γ: 71.225 ± 0.001°
• Cell volume: 1649.86 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No