Information card for entry 4339348

Structure parameters

• Formula: C34 H29 Fe Mn N9 O5
• Calculated formula: C34 H25 Fe Mn N9 O5
• SMILES: [Fe]12(C#N)(C#N)(C#[N][Mn]345(Oc6ccccc6C=[N]3CC[N]4=Cc3ccccc3O5)[OH2])[n]3cccc4cccc(c34)N1C(=O)c1cnc(C)c[n]21.O
• Title of publication: Field-induced metamagnetic transition in the Fe(III)-Mn(III) bimetallic chain built by a new cyanide-bearing Fe(III) precursor.
• Authors of publication: Kim, Jae Il; Yoo, Houng Sik; Koh, Eui Kwan; Hong, Chang Seop
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10461 - 10463
• a: 10.7664 ± 0.0011 Å
• b: 23.771 ± 0.002 Å
• c: 13.8319 ± 0.0015 Å
• α: 90°
• β: 110.576 ± 0.006°
• γ: 90°
• Cell volume: 3314.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No