Information card for entry 2240581

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)
• Formula: C28 H24 Co N6 O8
• Calculated formula: C28 H24 Co N6 O8
• SMILES: C(=O)(c1ccc(cc1)C#N)O[Co]([n]1cccc(c1)C(=O)N)([OH2])([n]1cccc(c1)C(=O)N)(OC(=O)c1ccc(cc1)C#N)[OH2]
• Title of publication: Crystal structure of <i>trans</i>-diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)
• Authors of publication: Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Yılmaz Nayir, Gamze; Çatak Çelik, Raziye; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 561 - 563
• a: 7.6474 ± 0.0003 Å
• b: 9.9266 ± 0.0004 Å
• c: 10.2782 ± 0.0004 Å
• α: 78.68 ± 0.002°
• β: 84.2 ± 0.003°
• γ: 71.556 ± 0.002°
• Cell volume: 725.13 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1188
• 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: No
• Has Fobs: Yes