Information card for entry 2311537

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridobis(methanol-κ<i>O</i>)cobalt(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']
• Formula: C14 H20 Cl2 Co N2 O2 S
• Calculated formula: C14 H20 Cl2 Co N2 O2 S
• SMILES: [Co](Cl)([OH]C)([n]1cc(ccc1)CSCc1c[n]([Co](Cl)([OH]C)(Cl)[OH]C)ccc1)(Cl)([OH]C)[n]1cc(ccc1)CSCc1cnccc1
• Title of publication: Crystal structure of a zigzag Co^II coordination polymer: <i>catena</i>-poly[[di-chlorido-bis-(methanol-κ<i>O</i>)cobalt(II)]-μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ²<i>N</i>:<i>N</i>'].
• Authors of publication: Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1882 - 1884
• a: 11.419 ± 0.002 Å
• b: 13.363 ± 0.002 Å
• c: 12.119 ± 0.002 Å
• α: 90°
• β: 106.226 ± 0.004°
• γ: 90°
• Cell volume: 1775.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No