Information card for entry 7030665

Structure parameters

• Formula: C60 H56 B2 Fe2 Mn2 N22 O4
• Calculated formula: C60 H56 B2 Fe2 Mn2 N22 O4
• SMILES: C(#[N][Mn]1234[N](=C(c5ccccc5[O]2[Mn]256([N]#C[Fe]78(C#N)(C#N)[n]9cccn9[BH](n9ccc[n]79)n7[n]8ccc7)[O]3c3ccccc3C(C)=[N]5CC[N]6=C(C)c3ccccc3O2)C)CC[N]1=C(C)c1ccccc1O4)[Fe]12(C#N)(C#N)[n]3cccn3[BH](n3[n]1ccc3)n1[n]2ccc1
• Title of publication: Syntheses, crystal structures and magnetic properties of cyano- and phenoxide-bridged Fe(III)Mn(III) tetramers containing fac-Fe(III) tricyanides and Mn(III) Schiff bases
• Authors of publication: Kwak, Hyun Young; Ryu, Dae Won; Kim, Hyoung Chan; Koh, Eui Kwan; Cho, Beong Ki; Hong, Chang Seop
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1954 - 1961
• a: 11.2458 ± 0.0006 Å
• b: 12.0481 ± 0.0007 Å
• c: 13.3851 ± 0.0007 Å
• α: 89.382 ± 0.002°
• β: 74.959 ± 0.002°
• γ: 62.685 ± 0.002°
• Cell volume: 1543.69 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000752
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No