Information card for entry 7026008

Structure parameters

• Formula: C25 H31 Er N2 O2 S
• Calculated formula: C25 H31 Er N2 O2 S
• Title of publication: Synthesis and controlled hydrolysis of organolanthanide complexes with mono- and dianionic benzimidazole-2-thiolate ligands.
• Authors of publication: Liu, Ruiting; Li, Xiaoqing; Zhang, Houcai; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 11053 - 11059
• a: 11.636 ± 0.004 Å
• b: 22.035 ± 0.008 Å
• c: 10.014 ± 0.004 Å
• α: 90°
• β: 107.064 ± 0.005°
• γ: 90°
• Cell volume: 2454.6 ± 1.6 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: 0.0391
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No