Information card for entry 2242229

Structure parameters

• Chemical name: Bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-\ κ<i>N</i>)cobalt(II)
• Formula: C30 H24 Co N6 O2 S2
• Calculated formula: C30 H24 Co N6 O2 S2
• SMILES: [Co](N=C=S)([n]1ccc(cc1)C(=O)c1ccccc1)(N=C=S)([N]#CC)([N]#CC)[n]1ccc(cc1)C(=O)c1ccccc1
• Title of publication: Crystal structure of bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 365 - 368
• a: 10.0304 ± 0.0006 Å
• b: 8.3355 ± 0.0004 Å
• c: 18.2581 ± 0.0012 Å
• α: 90°
• β: 90.547 ± 0.008°
• γ: 90°
• Cell volume: 1526.46 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes