Information card for entry 4325423

Structure parameters

• Formula: C42 H80 Br8 Mn O8 Re2 n6
• Calculated formula: C42 H80 Br8 Mn N6 O8 Re2
• SMILES: C12C(=[O][Re](O1)(Br)(Br)(Br)Br)O[Mn]1([O]=2)([n]2c[nH]cc2)([n]2c[nH]cc2)[O]=C2C(=[O][Re](O2)(Br)(Br)(Br)Br)O1.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Enhancing the Magnetic Coupling of Oxalato-Bridged ReIV2MII (M = Mn, Co, ni, and Cu) Trinuclear Complexes via Peripheral Halide Ligand Effects
• Authors of publication: José Martínez-Lillo; Teresa F. Mastropietro; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5731 - 5739
• a: 11.1814 ± 0.0004 Å
• b: 16.532 ± 0.0004 Å
• c: 35.0505 ± 0.0011 Å
• α: 90°
• β: 96.651 ± 0.001°
• γ: 90°
• Cell volume: 6435.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No