Information card for entry 4313126

Structure parameters

• Formula: C32 H27 Cl4 Mn N5 O4 Re
• Calculated formula: C32 H27 Cl4 Mn N5 O4 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)[O]=C2C(O1)=[O][Mn]13(O2)([n]2c(ccc4ccc5ccc([n]1c5c24)C)C)[n]1c(ccc2ccc4ccc([n]3c4c12)C)C.CC#N
• Title of publication: Heterobimetallic Oxalato-Bridged MIIReIV Complexes (M = Mn, Fe, Co, Ni): Synthesis, Crystal Structure, and Magnetic Properties
• Authors of publication: Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Donatella Armentano; Francesc Lloret; Miguel Julve; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1064 - 1069
• a: 16.008 ± 0.004 Å
• b: 12.729 ± 0.002 Å
• c: 18.909 ± 0.005 Å
• α: 90°
• β: 112.7 ± 0.02°
• γ: 90°
• Cell volume: 3554.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No