Information card for entry 1549765

Structure parameters

• Chemical name: Dibromo-bis(pyridine)-cobalt(II)
• Formula: C10 H10 Br2 Co N2
• Calculated formula: C10 H10 Br2 Co N2
• SMILES: Br[Co](Br)([n]1ccccc1)[n]1ccccc1
• Title of publication: Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.
• Authors of publication: Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 36
• Pages of publication: 7277 - 7286
• a: 8.6842 ± 0.001 Å
• b: 18.1757 ± 0.0018 Å
• c: 8.5209 ± 0.0008 Å
• α: 90°
• β: 100.878 ± 0.007°
• γ: 90°
• Cell volume: 1320.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1847
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No