Information card for entry 7000754

Structure parameters

• Formula: C56 H60 B2 Fe2 Mn2 N22 O10
• Calculated formula: C56 H48 B2 Fe2 Mn2 N22 O10
• SMILES: [Mn]1234([N]#C[Fe]56(C#N)(C#N)[n]7cccn7[BH](n7[n]6ccc7)n6[n]5ccc6)[N](=Cc5ccccc5O2)CC[N]3=Cc2c(cccc2)[O]1[Mn]123([N]#C[Fe]56(C#N)(C#N)[n]7cccn7[BH](n7[n]6ccc7)n6[n]5ccc6)[N](=Cc5ccccc5O2)CC[N]3=Cc2c(cccc2)[O]14.O.O.O.O.O.O
• 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: 11.2358 ± 0.0003 Å
• b: 12.0137 ± 0.0004 Å
• c: 14.205 ± 0.0004 Å
• α: 82.264 ± 0.001°
• β: 68.105 ± 0.001°
• γ: 63.382 ± 0.001°
• Cell volume: 1589.35 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1081
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No