Information card for entry 2234545

Structure parameters

• Chemical name: Bis(3-acetylpyridine-κ<i>N</i>)diaquabis(selenocyanato-κ<i>N</i>)cobalt(II)
• Formula: C16 H18 Co N4 O4 Se2
• Calculated formula: C16 H18 Co N4 O4 Se2
• SMILES: C(=N[Co]([OH2])([n]1cc(ccc1)C(=O)C)(N=C=[Se])([OH2])[n]1cc(ccc1)C(=O)C)=[Se]
• Title of publication: Bis(3-acetylpyridine-κ<i>N</i>)diaquabis(selenocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m703
• a: 19.1098 ± 0.0006 Å
• b: 9.0064 ± 0.0004 Å
• c: 14.9734 ± 0.0005 Å
• α: 90°
• β: 128.203 ± 0.002°
• γ: 90°
• Cell volume: 2025.13 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes