Information card for entry 4348202

Structure parameters

• Formula: C4 H16 Co N10 O7 S4
• Calculated formula: C4 H18 Co N10 O7 S4
• SMILES: [Co]([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)[S]=C(N)N.O=N(=O)[O-].O=N(=O)[O-].O
• Title of publication: What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?
• Authors of publication: Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9564 - 9578
• a: 17.38 ± 0.004 Å
• b: 11.675 ± 0.002 Å
• c: 9.717 ± 0.0019 Å
• α: 90°
• β: 101.83 ± 0.03°
• γ: 90°
• Cell volume: 1929.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No