Information card for entry 4339116

Structure parameters

• Formula: C60 H47 Cr Fe2 N22 O9
• Calculated formula: C54 H34 Cr2 Fe N14 O16.5
• Title of publication: Structural, thermal, and magnetic study of solvation processes in spin-crossover [Fe(bpp)(2)][Cr(L)(ox)(2)](2).nH(2)O complexes.
• Authors of publication: Clemente-León, Miguel; Coronado, Eugenio; Giménez-López, M Carmen; Romero, Francisco M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11266 - 11276
• a: 8.695 ± 0.0002 Å
• b: 15.377 ± 0.0004 Å
• c: 21.415 ± 0.0006 Å
• α: 73.433 ± 0.001°
• β: 78.994 ± 0.001°
• γ: 78.288 ± 0.0012°
• Cell volume: 2660.12 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1925
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No