Information card for entry 4313280

Structure parameters

• Formula: C13 H15 Mn2 Mo N8 O4
• Calculated formula: C13 H14 Mn2 Mo N8 O4
• Title of publication: Substantial Increase of the Ordering Temperature for {MnII/MoIII(CN)7}- Based Magnets as a Function of the 3d Ion Site Geometry: Example of Two Supramolecular Materials with Tc= 75 and 106 K
• Authors of publication: Stéfania Tanase; Floriana Tuna; Philippe Guionneau; Thierry Maris; Guillaume Rombaut; Corine Mathonière; Marius Andruh; ) Olivier Kahn; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1625 - 1631
• a: 12.5269 ± 0.0004 Å
• b: 12.0208 ± 0.0004 Å
• c: 26.1327 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3935.15 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No