Information card for entry 7027246

Structure parameters

• Formula: C44.6 H45.2 Cl1.2 N8 Tb
• Calculated formula: C44.6 H44 Cl1.2 N8 Tb
• Title of publication: Syntheses, characterization and crystal structures of 5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecine rare earth(III) complexes
• Authors of publication: Wang, Zenglin; Hu, Ninghai; Sakata, Kazunori; Hashimoto, Mamoru
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1695
• a: 17.51 ± 0.004 Å
• b: 16.151 ± 0.003 Å
• c: 16.206 ± 0.003 Å
• α: 90°
• β: 94.39 ± 0.02°
• γ: 90°
• Cell volume: 4569.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.2207
• Weighted residual factors for significantly intense reflections: 0.1902
• Goodness-of-fit parameter for all reflections: 1.169
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No