Information card for entry 2212844

Structure parameters

• Chemical name: catena-Poly[[[diaqua(isophthalato)]cobalt(II)]-μ-1,4- diazabicyclo[2.2.2]octane] N,N-dimethylformamide solvate]
• Formula: C17 H27 Co N3 O7
• Calculated formula: C17 H27 Co N3 O7
• SMILES: [Co]1([O]=C(O1)c1cc(ccc1)C(=O)[O-])([OH2])([OH2])([N]12CCN(CC1)CC2)[N]12CC[N]([Co]3([O]=C(O3)c3cc(ccc3)C(=O)[O-])([OH2])[OH2])(CC1)CC2.O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[diaqua(isophthalato)]cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane] <i>N</i>,<i>N</i>-dimethylformamide solvate]: a chiral one-dimensional coordination polymer
• Authors of publication: Ai-Qing Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1073 - m1075
• a: 6.2555 ± 0.0004 Å
• b: 21.7461 ± 0.0012 Å
• c: 7.1786 ± 0.0004 Å
• α: 90°
• β: 94.527 ± 0.002°
• γ: 90°
• Cell volume: 973.48 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes