Information card for entry 4320161

Structure parameters

• Common name: [{Cu(tren)CN}6Fe}{Fe(CN)6]2[ClO4]2.16H20
• Formula: C54 H139.6 Cl2 Cu6 Fe3 N42 O23.8
• Calculated formula: C54 H108 Cl2 Cu6 Fe3 N42 O23.8
• 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: 14.8674 ± 0.001 Å
• b: 25.9587 ± 0.001 Å
• c: 27.5617 ± 0.001 Å
• α: 90°
• β: 100.83 ± 0.001°
• γ: 90°
• Cell volume: 10447.7 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1722
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2694
• Weighted residual factors for all reflections included in the refinement: 0.3297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No