Information card for entry 7025380

Structure parameters

• Common name: Iron(II) bis-benzimidazole oxalate
• Chemical name: catena-[(μ~2~oxalato)-bis(benzimidazole)-iron(II)]
• Formula: C48 H36 Fe3 N12 O12
• Calculated formula: C48 H36 Fe3 N12 O12
• Title of publication: Heterocyclic amine directed synthesis of metal(II)-oxalates: investigating the magnetic properties of two complete series of chains with S = 5/2 to S = 1/2.
• Authors of publication: Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Bonin, Michel; Hursthouse, Michael B.; Price, Daniel J.; Decurtins, Silvio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4937 - 4950
• a: 20.945 ± 0.002 Å
• b: 12.3461 ± 0.0009 Å
• c: 18.55 ± 0.002 Å
• α: 90°
• β: 94.53 ± 0.012°
• γ: 90°
• Cell volume: 4781.8 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No