Information card for entry 1517105

Structure parameters

• Formula: C68 H133 Dy2 Fe4 N13 O22
• Calculated formula: C68 H130 Dy2 Fe4 N13 O22
• SMILES: [Dy]123456([OH]7[Dy]89%10%11([OH]1[Fe]1%12%13([O]8([Fe]8%14([O]1CC[N]%14(CC[O]98)CCCC)([O]=C(O%11)C(C)(C)C)N=N#N)CC[N]%13(CC[O]5%12)CCCC)[O]=C(O3)C(C)(C)C)([O]1[Fe]357([O]7[Fe]8([O]2CC[N]8(CC7)CCCC)([O]43CC[N]5(CC1)CCCC)([O]=C(O6)C(C)(C)C)N=N#N)[O]=C(O%10)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.N#CC.N#CC.N#CC
• Title of publication: Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions.
• Authors of publication: Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Beilstein journal of nanotechnology
• Year of publication: 2013
• Journal volume: 4
• Pages of publication: 807 - 814
• a: 13.9237 ± 0.0006 Å
• b: 14.5196 ± 0.0007 Å
• c: 25.1289 ± 0.001 Å
• α: 82.856 ± 0.003°
• β: 79.71 ± 0.003°
• γ: 65.545 ± 0.003°
• Cell volume: 4542.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No