Information card for entry 2020532

Structure parameters

• Common name: (2-amino-4,6-dimethoxypyrimidine-N)-aqua-chlorido -(thiophene-2-carboxylato-O)cobalt(II) hidrate
• Chemical name: (2-Amino-4,6-dimethoxypyrimidine-κ<i>N</i>)aquachlorido(thiophene-2-carboxylato-κ<i>O</i>)cobalt(II) monohydrate
• Formula: C11 H16 Cl Co N3 O6 S
• Calculated formula: C11 H16 Cl Co N3 O6 S
• Title of publication: Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands
• Authors of publication: Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 442 - 450
• a: 7.2407 ± 0.0002 Å
• b: 7.9326 ± 0.0002 Å
• c: 15.055 ± 0.0005 Å
• α: 92.932 ± 0.002°
• β: 102.406 ± 0.002°
• γ: 102.727 ± 0.002°
• Cell volume: 819.37 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes