Information card for entry 1515642

Structure parameters

• Common name: xwf9a
• Formula: C38 H72 Cl4 Fe N6 O4 Re
• Calculated formula: C38 H72 Cl4 Fe N6 O4 Re
• SMILES: C(N(CCCC)CCCC)=[O][Fe]([N]#C[Re](Cl)(Cl)(Cl)Cl)([O]=CN(CCCC)CCCC)([N]#C[Re](C#[N][Fe]([O]=CN(CCCC)CCCC)([O]=CN(CCCC)CCCC)([N]#[C])([O]=CN(CCCC)CCCC)[O]=CN(CCCC)CCCC)(Cl)(Cl)(Cl)Cl)([O]=CN(CCCC)CCCC)[O]=CN(CCCC)CCCC
• 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: 8.9348 ± 0.0006 Å
• b: 10.504 ± 0.0007 Å
• c: 14.0627 ± 0.001 Å
• α: 68.984 ± 0.004°
• β: 77.296 ± 0.004°
• γ: 85.408 ± 0.004°
• Cell volume: 1201.85 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No