Information card for entry 7041840

Structure parameters

• Formula: C45 H44 Cr2 Fe Mn2 N20 O39
• Calculated formula: C45 H44 Cr2 Fe Mn2 N20 O39
• Title of publication: Photomagnetic properties of an Fe(ii) spin-crossover complex of 6-(3,5-diamino-2,4,6-triazinyl)-2,2'-bipyridine and its insertion into 2D and 3D bimetallic oxalate-based networks.
• Authors of publication: Sánchez-Sánchez, C; Desplanches, C.; Clemente-Juan, J M; Clemente-León, M; Coronado, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2680 - 2689
• a: 13.7944 ± 0.001 Å
• b: 15.9248 ± 0.0009 Å
• c: 18.4133 ± 0.0012 Å
• α: 80.524 ± 0.005°
• β: 76.055 ± 0.006°
• γ: 65.483 ± 0.006°
• Cell volume: 3562.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2097
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.2769
• Weighted residual factors for all reflections included in the refinement: 0.323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No