Information card for entry 7711130

Structure parameters

• Chemical name: 11
• Formula: C24 H22 Cl4 N9 Tb
• Calculated formula: C24 H22 Cl4 N9 Tb
• SMILES: [Tb](Cl)(Cl)(Cl)(Cl)([n]1cc(ccc1)c1n[nH]cc1)[n]1cc(ccc1)c1n[nH]cc1.[nH+]1cc(ccc1)c1n[nH]cc1
• Title of publication: 3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties
• Authors of publication: Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.4821 ± 0.0006 Å
• b: 13.7301 ± 0.0007 Å
• c: 15.9694 ± 0.0008 Å
• α: 90°
• β: 97.093 ± 0.002°
• γ: 90°
• Cell volume: 2715.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No