Information card for entry 2223391

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ-4,4'-(propane- 1,3-diyldioxy)dibenzoato]
• Formula: C29 H24 Co N2 O7
• Calculated formula: C29 H24 Co N2 O7
• SMILES: [Co]1(OC(=O)c2ccc(OCCCOc3ccc(C(=O)[O-])cc3)cc2)([OH2])([n]2c3c4[n]1cccc4ccc3ccc2)OC(=O)c1ccc(OCCCOc2ccc(C(=O)O[Co]3([OH2])[n]4c5c6[n]3cccc6ccc5ccc4)cc2)cc1
• Title of publication: <i>catena</i>-Poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ-4,4'-(propane-1,3-diyldioxy)dibenzoato]
• Authors of publication: Shen, Su-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1164
• a: 8.5967 ± 0.0017 Å
• b: 11.432 ± 0.002 Å
• c: 14.423 ± 0.003 Å
• α: 68.433 ± 0.003°
• β: 87.673 ± 0.004°
• γ: 74.635 ± 0.004°
• Cell volume: 1268.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes