Information card for entry 2219779

Structure parameters

• Chemical name: tetraaquabis[5-(4-pyridyl)tetrazolido-κN^5^]cobalt(II) dihydrate
• Formula: C12 H20 Co N10 O6
• Calculated formula: C12 H20 Co N10 O6
• SMILES: c1cc(cc[n]1[Co]([OH2])([n]1ccc(cc1)c1[n-]nnn1)([OH2])([OH2])[OH2])c1[n-]nnn1.O.O
• Title of publication: A new cobalt(II) complex with 5-(4-pyridyl)tetrazole ligands
• Authors of publication: Zhu, Wei-Feng; Zhou, Xing-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1478
• a: 7.2087 ± 0.0016 Å
• b: 7.8002 ± 0.0017 Å
• c: 8.6702 ± 0.0018 Å
• α: 91.406 ± 0.003°
• β: 90.482 ± 0.003°
• γ: 100.953 ± 0.003°
• Cell volume: 478.45 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes