Information card for entry 7025383

Structure parameters

• Common name: [Mn(ox)(btz)2]n
• Chemical name: catena-[(μ~2~-oxalato)-bis(benzotriazole)-manganese(II)]
• Formula: C14 H10 Mn N6 O4
• Calculated formula: C14 H10 Mn N6 O4
• 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: 14.551 ± 0.003 Å
• b: 12.549 ± 0.003 Å
• c: 9.4577 ± 0.0019 Å
• α: 90°
• β: 109.5 ± 0.03°
• γ: 90°
• Cell volume: 1627.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No