Information card for entry 2228915

Structure parameters

• Chemical name: Tetrakis[μ-4-(diethylamino)benzoato- κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide- κ<i>N</i>^1^)cobalt(II)]
• Formula: C64 H84 Co2 N8 O10
• Calculated formula: C64 H84 Co2 N8 O10
• SMILES: [n]1(cccc(c1)C(=O)N(CC)CC)[Co]1234[O]=C(O[Co]4([n]4cccc(c4)C(=O)N(CC)CC)([O]=C(c4ccc(cc4)N(CC)CC)O3)([O]=C(c3ccc(cc3)N(CC)CC)O2)OC(=[O]1)c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1
• Title of publication: Tetrakis[μ-4-(diethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)cobalt(II)]
• Authors of publication: Hökelek, Tuncer; Sağlam, Ertuğrul Gazi; Tercan, Barış; Aybirdi, Özgür; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m28 - m29
• a: 10.3518 ± 0.0002 Å
• b: 13.4393 ± 0.0002 Å
• c: 22.5105 ± 0.0003 Å
• α: 90°
• β: 94.189 ± 0.002°
• γ: 90°
• Cell volume: 3123.32 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes