Information card for entry 4317549

Structure parameters

• Formula: C38 H30 Fe N6 O P
• Calculated formula: C38 H28 Fe N6 O P
• SMILES: [Fe]1([n]2ccccc2c2[n]1cccc2)(C#N)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: [Fe(bipy)(CN)4]- as a Versatile Building Block for the Design of Heterometallic Systems: Synthesis, Crystal Structure, and Magnetic Properties of PPh4[FeIII(bipy)(CN)4].H2O, [{FeIII(bipy)(CN)4}2MII(H2O)4].4H2O, and [{FeIII(bipy)(CN)4}2ZnII].2H2O [bipy = 2,2'-Bipyridine; M = Mn and Zn]
• Authors of publication: Rodrigue Lescouëzec; Francesc Lloret; Miguel Julve; Jacqueline Vaissermann; Michel Verdaguer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 818 - 826
• a: 12.013 ± 0.004 Å
• b: 19.888 ± 0.008 Å
• c: 14.486 ± 0.006 Å
• α: 90°
• β: 100.7 ± 0.03°
• γ: 90°
• Cell volume: 3401 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.0927
• Goodness-of-fit parameter for significantly intense reflections: 1.1155
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No