Information card for entry 7006083

Structure parameters

• Formula: C44 H65 N2 O S2 Sc
• Calculated formula: C44 H65 N2 O S2 Sc
• SMILES: [Sc]1(N(Cc2sccc2)c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)N(Cc2sccc12)c1c(cccc1C(C)C)C(C)C.CCCCCC
• Title of publication: Rare earth metal complexes bearing thiophene-amido ligand: synthesis and structural characterization.
• Authors of publication: Wang, Dun; Cui, Dongmei; Miao, Wei; Li, Shihui; Huang, Baotong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4576 - 4581
• a: 15.151 ± 0.0011 Å
• b: 14.986 ± 0.0011 Å
• c: 19.3443 ± 0.0014 Å
• α: 90°
• β: 93.24 ± 0.001°
• γ: 90°
• Cell volume: 4385.2 ± 0.6 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No