Information card for entry 2223389

Structure parameters

• Chemical name: Bis(2-cyclohexyliminomethyl-4,6-dihydroselenophenolato)cobalt(II) acetonitrile solvate
• Formula: C28 H35 Co N3 O2 Se4
• Calculated formula: C28 H35 Co N3 O2 Se4
• SMILES: [Co]12([N](=Cc3c(c([SeH])cc([SeH])c3)O1)C1CCCCC1)[N](=Cc1c(c([SeH])cc([SeH])c1)O2)C1CCCCC1.CC#N
• Title of publication: Bis(2-cyclohexyliminomethyl-4,6-dihydroselenophenolato)cobalt(II) acetonitrile solvate
• Authors of publication: Cui, Yong-Ming; Zhang, Xian; Wang, Li-Jun; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1180
• a: 9.4745 ± 0.0005 Å
• b: 16.3895 ± 0.0005 Å
• c: 20.4615 ± 0.0005 Å
• α: 90°
• β: 91.845 ± 0.002°
• γ: 90°
• Cell volume: 3175.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes