Information card for entry 2230865

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis[(1,10-phenanthroline)cobalt(II)]-μ~4~-3,6- dicarboxycyclohexane-1,2,4,5-tetracarboxylato]
• Formula: C36 H24 Co2 N4 O12
• Calculated formula: C36 H24 Co2 N4 O12
• SMILES: [Co]1234([n]5c6c7[n]4cccc7ccc6ccc5)[O]=C(O1)[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1C(=O)O)C1=[O][Co]4(O1)[n]1cccc5ccc6ccc[n]4c6c15)C1=[O][Co]4(O1)[n]1cccc5ccc6ccc[n]4c6c15)C(=O)O)C1=[O][Co]45(O1)([n]1cccc6ccc7ccc[n]4c7c16)[O]=C(O5)[C@@H]1[C@H]([C@@H]([C@@H](C(=O)[O-])[C@@H]([C@H]1C(=O)O)C(=O)[O-])C(=O)O)C(=[O]2)O3
• Title of publication: <i>catena</i>-Poly[bis[(1,10-phenanthroline)cobalt(II)]-μ~4~-3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]
• Authors of publication: Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m832 - m833
• a: 22.18 ± 0.004 Å
• b: 8.952 ± 0.0018 Å
• c: 16.426 ± 0.003 Å
• α: 90°
• β: 93.33 ± 0.03°
• γ: 90°
• Cell volume: 3256 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes