Information card for entry 4348020

Structure parameters

• Common name: [Co(tdmmb)(SPh)2]
• Formula: C35 H31 Co N7 S2
• Calculated formula: C35 H31 Co N7 S2
• SMILES: [Co]1234(Sc5ccccc5)(Sc5ccccc5)[n]5c6cccc5C(=[N]4N(c4[n]3c3c5[n]2c(N([N]1=C6C)C)ccc5ccc3cc4)C)C
• Title of publication: Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.
• Authors of publication: Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 10859 - 10869
• a: 12.311 ± 0.003 Å
• b: 19.802 ± 0.005 Å
• c: 11.859 ± 0.003 Å
• α: 90°
• β: 93.549 ± 0.004°
• γ: 90°
• Cell volume: 2885.5 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No