Information card for entry 7009076

Structure parameters

• Formula: C30 H42 Cu2 Fe N13 O6.5
• Calculated formula: C30 H29 Cu2 Fe N13 O6.5
• Title of publication: Structure and magnetic properties of two cyanide-bridged one-dimensional M‒CuII (M = FeIII or FeII) bimetallic assemblies from ferricyanide and CuN42+ (N4 = 1,4,8,11-tetraazacyclotetradecane and N,N '-bis(2-pyridylmethylene)-1,3-propanediamine) building blocks
• Authors of publication: Colacio, Enrique; Domínguez-Vera, José Manuel; Ghazi, Mustapha; Kivekäs, Raikko; María Moreno, José; Pajunen, Aarne
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 505
• a: 11.592 ± 0.006 Å
• b: 12.226 ± 0.006 Å
• c: 14.737 ± 0.005 Å
• α: 102.78 ± 0.04°
• β: 101.86 ± 0.04°
• γ: 109.95 ± 0.05°
• Cell volume: 1822.4 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No