Information card for entry 2237883

Structure parameters

• Chemical name: Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) dinitrate tetrahydrate
• Formula: C12 H32 Co N10 O16
• Calculated formula: C12 H32 Co N10 O16
• SMILES: NC(=O)C[N]12CC(=[O][Co]342([O]=C(C1)N)[O]=C(C[N]4(CC(=O)N)CC(=[O]3)N)N)N.[O-]N(=O)=O.[O-]N(=O)=O.O.O.O.O
• Title of publication: Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) dinitrate tetrahydrate
• Authors of publication: Ran, Jing-Wen; Pei, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m325
• a: 8.491 ± 0.0017 Å
• b: 9.141 ± 0.0018 Å
• c: 9.258 ± 0.0019 Å
• α: 91.55 ± 0.03°
• β: 96.03 ± 0.03°
• γ: 110.68 ± 0.03°
• Cell volume: 667 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes