Information card for entry 2227457

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-malonato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]
• Formula: C17 H14 Co N2 O4
• Calculated formula: C17 H14 Co N2 O4
• SMILES: [Co]123([n]4c(ccc5ccc6ccc([n]1c6c45)C)C)([O]=C(O2)CC(=O)[O-])[O]=C(O3)CC1=[O][Co]2([n]3c(ccc4ccc5ccc([n]2c5c34)C)C)O1
• Title of publication: <i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-malonato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]
• Authors of publication: Qiu, Ling-Feng; Zhou, Bai-Lu; Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1327
• a: 6.8767 ± 0.0014 Å
• b: 9.5293 ± 0.0019 Å
• c: 11.149 ± 0.002 Å
• α: 86.83 ± 0.03°
• β: 89.53 ± 0.03°
• γ: 89.52 ± 0.03°
• Cell volume: 729.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes