Information card for entry 2220637

Structure parameters

• Chemical name: Aqua(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) monohydrate
• Formula: C16 H17 Co N3 O6
• Calculated formula: C16 H17 Co N3 O6
• SMILES: [Co]123(OC(=O)C[NH]2CC(=O)O1)([OH2])[n]1cccc2c1c1[n]3cccc1cc2.O
• Title of publication: Aqua(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) monohydrate
• Authors of publication: Ng, Hwa Loong; Ng, Chew Hee; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m41
• a: 6.7884 ± 0.0003 Å
• b: 12.0903 ± 0.0005 Å
• c: 10.4945 ± 0.0004 Å
• α: 90°
• β: 108.357 ± 0.003°
• γ: 90°
• Cell volume: 817.49 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes