Information card for entry 7244597

Structure parameters

• Chemical name: {[Co(btc)(DMF)2] . 2/3 DMF}n
• Formula: C51 H65 Co3 N8 O26
• Calculated formula: C45 H51 Co3 N6 O24
• Title of publication: Solvatochromism and the effect of solvent on properties in a two-dimensional coordination polymer of cobalt-trimesate
• Authors of publication: Zacharias, Savannah C.; Ramon, Gaelle; Bourne, Susan A.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 16.6748 ± 0.0018 Å
• b: 14.1341 ± 0.0016 Å
• c: 28.845 ± 0.003 Å
• α: 90°
• β: 89.974 ± 0.002°
• γ: 90°
• Cell volume: 6798.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No