Information card for entry 2206114

Structure parameters

• Chemical name: Poly[[[diaquabis(pyridine-4-carboxamide-κN^1^)cobalt(II)]-μ~2~- squarato-κO:O'] dihydrate]
• Formula: C16 H20 Co N4 O10
• Calculated formula: C16 H20 Co N4 O10
• SMILES: [Co]([n]1ccc(cc1)C(=O)N)([OH2])([OH2])([n]1ccc(cc1)C(=O)N)OC1=C([O-])C(=O)C1=[O][Co]([n]1ccc(cc1)C(=O)N)([n]1ccc(cc1)C(=O)N)([OH2])([OH2])OC1=C([O-])C(=O)C1=O.O.O.O.O
• Title of publication: Poly[[[diaquabis(pyridine-4-carboxamide-κ<i>N</i>^1^)cobalt(II)]-μ~2~-squarato-κ<i>O</i>:<i>O</i>'] dihydrate]
• Authors of publication: Uçar, İbrahim; Bulut, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1320 - m1323
• a: 8.1578 ± 0.0008 Å
• b: 10.8246 ± 0.0012 Å
• c: 12.1665 ± 0.0011 Å
• α: 75.445 ± 0.008°
• β: 89.69 ± 0.008°
• γ: 74.082 ± 0.008°
• Cell volume: 997.68 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes