Information card for entry 2007602

Structure parameters

• Formula: C21 H27 Fe2 N3 O21
• Calculated formula: C21 H25 Fe2 N3 O21
• Title of publication: Triaqua(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Bis(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Hexahydrate: an Unusual Ion-Pair Compound
• Authors of publication: Abboud, Khalil A.; Xu, Cheng; Drago, Russell S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1270 - 1273
• a: 8.582 ± 0.002 Å
• b: 11.313 ± 0.002 Å
• c: 16.251 ± 0.003 Å
• α: 74.75 ± 0.03°
• β: 87.29 ± 0.03°
• γ: 83.16 ± 0.03°
• Cell volume: 1511.2 ± 0.6 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: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No