Information card for entry 4320162

Structure parameters

• Common name: [{Cu(tren)CN}6Fe][{Cu(tren)CN}4Fe(CN)2][Fe(CN)6]4.6DMSO.21H2O
• Formula: C108 H258 Cu10 Fe6 N76 O27 S6
• Calculated formula: C108 H192 Cu10 Fe6 N76 O27 S6
• Title of publication: The Encapsulation of Ferrocyanide by Copper(II) Complexes of Tripodal Tetradentate Ligands. Novel H-Bonding Networks Incorporating Heptanuclear and Pentanuclear Heterometallic Assemblies
• Authors of publication: Richard J. Parker; Leone Spiccia; Stuart R. Batten; John D. Cashion; Gary D. Fallon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4696 - 4704
• a: 14.8094 ± 0.0008 Å
• b: 17.3901 ± 0.0007 Å
• c: 21.1565 ± 0.0011 Å
• α: 110.75 ± 0.003°
• β: 90.206 ± 0.002°
• γ: 112.754 ± 0.003°
• Cell volume: 4635.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1975
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No