Information card for entry 7025387

Structure parameters

• Common name: [Zn(bnz)4][Zn2(ox)3]
• Chemical name: catena-[(tetrakis(benzimidazole)-zinc(II))-(tris(μ~2~-oxalato)- di-zinc(II))]
• Formula: C34 H24 N8 O12 Zn3
• Calculated formula: C34 H24 N8 O12 Zn3
• 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: 16.642 ± 0.003 Å
• b: 8.8961 ± 0.0018 Å
• c: 24.002 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3553.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No