Information card for entry 4319563

Structure parameters

• Formula: C40 H32 Fe N6 O2 P
• Calculated formula: C40 H28 Fe N6 O2 P
• Title of publication: [Fe(Phen)(CN)4]-: A Versatile Building Block for the Design of Heterometallic Systems. Crystal Structures and Magnetic Properties of PPh4[Fe(Phen)(CN)4].2H2O and [{Fe(Phen)(CN)4}2M(H2O)2].4H2O [Phen = 1,10-Phenanthroline; M = Mn(II) and Zn(II)]
• Authors of publication: Rodrigue Lescouëzec; Francesc Lloret; Miguel Julve; Jacqueline Vaissermann; Michel Verdaguer; Rosa Llusar; Santiago Uriel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2065 - 2072
• a: 9.364 ± 0.004 Å
• b: 27.473 ± 0.005 Å
• c: 14.301 ± 0.003 Å
• α: 90°
• β: 97.68 ± 0.02°
• γ: 90°
• Cell volume: 3646 ± 1.9 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: 0.0641
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for significantly intense reflections: 1.1156
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No