Information card for entry 7011641

Structure parameters

• Formula: C64 H74 Fe4 Mn2 N28 O18
• Calculated formula: C64 H38 Fe4 Mn2 N28 O18
• SMILES: C(#[N][Mn]1([n]2ccc[n]3c2c2[n](ccc[n]12)[Mn]3([N]#C[Fe]1(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2])[Fe]1(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12.C(#N)[Fe]1(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12.O.O.O.O.O.O.C(#N)[Fe]1(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12.O.O.O.O.O.O
• Title of publication: [Mn2(bipym)(H2O)8]4+ and [Fe(bipy)(CN)4]− as building blocks in designing novel bipym- and cyanide-bridged heterobimetallic complexes (bipym = 2,2'-bipyrimidine and bipy = 2,2'-bipyridine)
• Authors of publication: Luminita Marilena Toma; Rodrigue Lescouëzec; Liviu Dan Toma; Francesc Lloret; Miguel Julve; Jacqueline Vaissermann; Marius Andruh
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3171 - 3176
• a: 13.624 ± 0.003 Å
• b: 14.927 ± 0.002 Å
• c: 21.767 ± 0.005 Å
• α: 90°
• β: 107.3 ± 0.02°
• γ: 90°
• Cell volume: 4226.4 ± 1.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.0803
• Goodness-of-fit parameter for significantly intense reflections: 1.1038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No