Information card for entry 4344927

Structure parameters

• Common name: 1
• Formula: C28 H48 Co K2 N4 O12 S4
• Calculated formula: C28 H48 Co K2 N4 O12 S4
• SMILES: C(=N[Co](N=C=S)(N=C=S)N=C=S)=S.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456
• Title of publication: Slow Magnetic Relaxation in Weak Easy-Plane Anisotropy: the Case of a Combined Magnetic and HFEPR Study.
• Authors of publication: Zhu, Yuan-Yuan; Liu, Fang; Liu, Jia-Jia; Meng, Yin-Shan; Jiang, Shang-Da; Barra, Anne-Laure; Wernsdorfer, Wolfgang; Gao, Song
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 697 - 700
• a: 17.4838 ± 0.0006 Å
• b: 13.9373 ± 0.0005 Å
• c: 17.5812 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4284.1 ± 0.3 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No