Information card for entry 4331889

Structure parameters

• Formula: C8 H20 Fe N6 O9
• Calculated formula: C8 H18 Fe N6 O8
• Title of publication: Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)
• Authors of publication: Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3549 - 3556
• a: 16.2542 ± 0.0008 Å
• b: 16.2542 ± 0.0008 Å
• c: 11.535 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3047.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No