Information card for entry 2202465

Structure parameters

• Chemical name: Bis(DL-alanine)tetraaquacobalt(II) dinitrate
• Formula: C6 H22 Co N4 O14
• Calculated formula: C6 H22 Co N4 O14
• SMILES: C(=O)([C@@H]([NH3+])C)O[Co]([OH2])(OC(=O)[C@@H](C)[NH3+])([OH2])([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis(<small>DL</small>-alanine)tetraaquacobalt(II) dinitrate
• Authors of publication: K.Rajagopal; R.V.Krishnakumar; M.Subha Nandhini; K.Ravikumar; S.Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m562 - m564
• a: 5.5021 ± 0.0006 Å
• b: 6.6396 ± 0.0008 Å
• c: 23.821 ± 0.003 Å
• α: 90°
• β: 96.22 ± 0.01°
• γ: 90°
• Cell volume: 865.1 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes