Information card for entry 4319222

Structure parameters

• Formula: C58 H52 Fe4 N24 O28
• Calculated formula: C58 H52 Fe4 N24 O28
• SMILES: c1[n]2c(c3[n]([Fe]452([n]2cccnc2c2[n]4cccn2)[n]2cccnc2c2[n]5cccn2)cccn3)ncc1.O1C(=O)C(=O)O[Fe]231(OC(=O)C(=O)O2)[O]=C1C(O3)=[O][Fe]23(OC(=O)C(=O)O2)(OC(=O)C(=O)O3)O1.O.O.O.O.c1ccnc2c3[n](cccn3)[Fe]34([n]12)([n]1cccnc1c1[n]3cccn1)[n]1cccnc1c1[n]4cccn1.O.O.O.O
• Title of publication: Syntheses, Crystal Structures, and Magnetic Properties of the Oxalato-Bridged Mixed-Valence Complexes [FeII(bpm)3]2[FeIII2(ox)5].8H2O and FeII(bpm)3Na(H2O)2Fe(ox)3.4H2O (bpm = 2,2'-Bipyrimidine)
• Authors of publication: Donatella Armentano; Giovanni De Munno; Juan Faus; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 655 - 660
• a: 10.998 ± 0.002 Å
• b: 13.073 ± 0.003 Å
• c: 13.308 ± 0.003 Å
• α: 101.95 ± 0.02°
• β: 109.2 ± 0.02°
• γ: 99.89 ± 0.02°
• Cell volume: 1707.2 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 8.36
• Residual factor for significantly intense reflections: 4.77
• Weighted residual factors for all reflections: 7.43
• Weighted residual factors for significantly intense reflections: 6.2
• Goodness-of-fit parameter for significantly intense reflections: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No