Information card for entry 2222618

Structure parameters

• Chemical name: Triaquadichlorido[5-(4-pyridinio)tetrazolato-κ<i>N</i>^2^]cobalt(II) monohydrate
• Formula: C6 H13 Cl2 Co N5 O4
• Calculated formula: C6 H13 Cl2 Co N5 O4
• SMILES: n1c(nn(n1)[Co](Cl)(Cl)([OH2])([OH2])[OH2])c1cc[nH+]cc1.O
• Title of publication: Triaquadichlorido[5-(4-pyridinio)tetrazolato-κ<i>N</i>^2^]cobalt(II) monohydrate
• Authors of publication: Wang, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m853
• a: 6.49 ± 0.0013 Å
• b: 9.842 ± 0.002 Å
• c: 11.159 ± 0.002 Å
• α: 110.72 ± 0.03°
• β: 97.05 ± 0.03°
• γ: 106.27 ± 0.03°
• Cell volume: 620.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes