Information card for entry 7011859

Structure parameters

• Formula: C47 H42 B2 Cl2 N12 O8 Tb2
• Calculated formula: C47 H42 B2 Cl2 N12 O8 Tb2
• 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: 12.5382 ± 0.0009 Å
• b: 13.0146 ± 0.0009 Å
• c: 16.3211 ± 0.0012 Å
• α: 72.71 ± 0.01°
• β: 83.64 ± 0.01°
• γ: 89.57 ± 0.01°
• Cell volume: 2526.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.0584
• Goodness-of-fit parameter for all reflections: 0.927
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No