Information card for entry 1563889

Structure parameters

• Formula: C26 H28 Co N4 O6
• Calculated formula: C26 H28 Co N4 O6
• SMILES: [Co]12(OC(=O)c3[n]1cccc3)([n]1ccc(cc1)CCc1cc[n]([Co]34(OC(=O)c5[n]4cccc5)OC(=O)c4[n]3cccc4)cc1)(OC(=O)c1[n]2cccc1)[n]1ccc(cc1)CCc1ccncc1.OC.OC.OC.OC
• Title of publication: A one-dimensional self-assembled porous coordination polymer poly[bis(picolinato-N,O)(µ-1,2-bis(4-pyridyl)ethane-N,N′)cobalt(II)] dimethanol
• Authors of publication: Kawade, Vitthal A.; Bhat, Satish S.; Tayade, Sakharam B.; Kumbhar, Avinash S.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 539 - 543
• a: 8.4181 ± 0.0002 Å
• b: 8.4352 ± 0.0002 Å
• c: 9.3843 ± 0.0003 Å
• α: 84.094 ± 0.001°
• β: 79.829 ± 0.001°
• γ: 73.518 ± 0.001°
• Cell volume: 627.96 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No