Information card for entry 1569036

Structure parameters

• Formula: C12 H12 Br4 Co N4 O8
• Calculated formula: C12 H12 Br4 Co N4 O8
• SMILES: [Co](ON(=O)=O)([OH]C)(ON(=O)=O)([OH]C)[n]1cc(Br)c(c(Br)c1)c2c(Br)c[n](cc2Br)[Co](ON(=O)=O)([OH]C)(ON(=O)=O)([OH]C)[n]1cc(Br)c(c(Br)c1)c2c(Br)cncc2Br
• Title of publication: Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon
• Authors of publication: Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 704
• a: 18.3716 ± 0.001 Å
• b: 11.4111 ± 0.0006 Å
• c: 13.2287 ± 0.0012 Å
• α: 90°
• β: 132.282 ± 0.002°
• γ: 90°
• Cell volume: 2051.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No