Information card for entry 7011862

Structure parameters

• Formula: C78 H92 B8 Cl12 N60 Tb4
• Calculated formula: C78 H92 B8 Cl12 N60 Tb4
• Title of publication: Synthesis, molecular structure and emission properties of benzoato-bridged lanthanide complexes with hydrotris(pyrazolyl)borate
• Authors of publication: Udai P. Singh; Shalu Tyagi; Chokhe Lal Sharma; Helmut Görner; Thomas Weyhermüller
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4464 - 4470
• a: 15.8429 ± 0.0004 Å
• b: 25.3237 ± 0.0008 Å
• c: 15.993 ± 0.0008 Å
• α: 90°
• β: 115.06 ± 0.01°
• γ: 90°
• Cell volume: 5812.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.0664
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No