Information card for entry 2222183

Structure parameters

• Chemical name: Diaquabis[4-(dimethylamino)benzoato]-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>- (isonicotinamide-κ<i>N</i>^1^)cobalt(II)
• Formula: C24 H30 Co N4 O7
• Calculated formula: C24 H30 Co N4 O7
• SMILES: [Co]1(OC(=O)c3ccc(N(C)C)cc3)([O]=C(O1)c1ccc(N(C)C)cc1)([OH2])([OH2])[n]1ccc(cc1)C(=O)N
• Title of publication: Diaquabis[4-(dimethylamino)benzoato]-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-(isonicotinamide-κ<i>N</i>^1^)cobalt(II)
• Authors of publication: Hökelek, Tuncer; Dal, Hakan; Tercan, Barış; Aybirdi, Özgür; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m627 - m628
• a: 6.8555 ± 0.0001 Å
• b: 8.1028 ± 0.0002 Å
• c: 22.4642 ± 0.0003 Å
• α: 90.918 ± 0.001°
• β: 92.965 ± 0.002°
• γ: 93.23 ± 0.002°
• Cell volume: 1243.98 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes