Information card for entry 7029351

Structure parameters

• Formula: C36 H68 Cl6 N24 O29 Tm2
• Calculated formula: C36 H68 Cl6 N24 O29 Tm2
• Title of publication: New lanthanide-CB[6] coordination compounds: relationships between the crystal structure and luminescent properties.
• Authors of publication: da Silva, Fausthon F.; de Oliveira, Carlos A. F.; Falcão, Eduardo H L; Chojnacki, Jaroslaw; Neves, Jorge L.; Alves, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5435 - 5442
• a: 12.1396 ± 0.0003 Å
• b: 19.5834 ± 0.0004 Å
• c: 14.6748 ± 0.0004 Å
• α: 90°
• β: 112.69 ± 0.003°
• γ: 90°
• Cell volume: 3218.7 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No