Information card for entry 2241608

Structure parameters

• Chemical name: Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>^1^)cobalt(II)
• Formula: C40 H54 Co N4 O8
• Calculated formula: C40 H54 Co N4 O8
• Title of publication: Crystal structure of diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>^1^)cobalt(II)
• Authors of publication: Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Çatak Çelik, Raziye; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 498 - 501
• a: 12.9646 ± 0.0004 Å
• b: 10.8636 ± 0.0003 Å
• c: 15.6297 ± 0.0005 Å
• α: 90°
• β: 111.596 ± 0.003°
• γ: 90°
• Cell volume: 2046.79 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes