Information card for entry 7011640

Structure parameters

• Formula: C14 H10 Fe K N6 O
• Calculated formula: C14 H10 Fe K N6 O
• SMILES: [Fe]1([n]2ccccc2c2[n]1cccc2)(C#N)(C#N)(C#N)C#N.[K+].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: 10.052 ± 0.002 Å
• b: 12.345 ± 0.002 Å
• c: 12.886 ± 0.002 Å
• α: 90°
• β: 90.13 ± 0.01°
• γ: 90°
• Cell volume: 1599 ± 0.5 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: 0.036
• Weighted residual factors for significantly intense reflections: 0.0446
• Goodness-of-fit parameter for significantly intense reflections: 1.1238
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No