Information card for entry 1515645

Structure parameters

• Common name: xwf23a
• Formula: C26 H52 Cl4 Fe N6 O4 Re
• Calculated formula: C26 H52 Cl4 Fe N6 O4 Re
• SMILES: [Re](Cl)(C#N)(C#[N][Fe]([O]=C(C)N(CC)CC)([O]=C(C)N(CC)CC)([O]=C(C)N(CC)CC)([O]=C(C)N(CC)CC)[N]#C[Re](Cl)(C#[N][Fe]([O]=C(C)N(CC)CC)([O]=C(C)N(CC)CC)([O]=C(C)N(CC)CC)[O]=C(C)N(CC)CC)(Cl)(Cl)Cl)(Cl)(Cl)Cl
• Title of publication: Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets
• Authors of publication: Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 1688
• a: 13.3667 ± 0.0017 Å
• b: 13.3667 ± 0.0017 Å
• c: 10.7152 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1914.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No