Information card for entry 1547836

Structure parameters

• Formula: C50 H34 Co Fe2 N14 O2
• Calculated formula: C50 H34 Co Fe2 N14 O2
• SMILES: [Fe]1([n]2c(c3[n]1cccc3)cccc2)(C#[N][Co]1([n]2ccc(c3ccccc3)cc2)([n]2ccc(c3ccccc3)cc2)([N]#C[Fe]2([n]3c(c4[n]2cccc4)cccc3)(C#N)(C#[N][Co]([n]2ccc(c3ccccc3)cc2)([n]2ccc(c3ccccc3)cc2)[N]#C[Fe]2([n]3c(c4[n]2cccc4)cccc3)(C#N)(C#[N]1)C#N)C#N)[N]#C[Fe]1([n]2c(c3[n]1cccc3)cccc2)(C#N)(C#N)C#N)(C#N)(C#N)C#N.O.O.O.O
• Title of publication: Switching single chain magnet behavior <i>via</i> photoinduced bidirectional metal-to-metal charge transfer.
• Authors of publication: Jiang, Wenjing; Jiao, Chengqi; Meng, Yinshan; Zhao, Liang; Liu, Qiang; Liu, Tao
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 617 - 622
• a: 27.352 ± 0.012 Å
• b: 15.144 ± 0.007 Å
• c: 13.336 ± 0.006 Å
• α: 90°
• β: 116.222 ± 0.007°
• γ: 90°
• Cell volume: 4956 ± 4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No