Information card for entry 7011913

Structure parameters

• Formula: C42 H52 Cl Cu2 Fe N14 O12
• Calculated formula: C42 H52 Cl Cu2 Fe N14 O12
• SMILES: [Cu]123([N]#C[Fe](C#[N][Cu]456[N](Cc7[n]4cccc7)(Cc4[n]5cccc4)Cc4[n]6cccc4)(C#N)(C#N)(C#N)C#N)[N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: Synthesis, crystal structures and magnetic properties of linear and bent trinuclear complexes formed by hexacyanometallates and copper(ii) complexes
• Authors of publication: Parker, Richard J.; Lu, Kevin D.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.; Spiccia, Leone; Cashion, John D.; Rae, A. David; Willis, Anthony C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 3723
• a: 12.665 ± 0.002 Å
• b: 12.665 Å
• c: 27.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3870.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 1.35
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No