Information card for entry 7026013

Structure parameters

• Formula: C35 H40 Er2 N2 O2 S
• Calculated formula: C35 H40 Er2 N2 O2 S
• SMILES: [Er]123456789([S]%10c%11[n]1c1ccccc1n%11[Er]1%11%12%13%14%15%16%17%10([cH]%10[cH]%13[cH]%12[cH]%11[cH]1%10)([cH]1[cH]%14[cH]%15[cH]%16[cH]%171)[O]1CCCC1)([cH]1[cH]5[cH]4[cH]3[cH]21)([cH]1[cH]9[cH]8[cH]7[cH]61)[O]1CCCC1
• 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: 9.29 ± 0.003 Å
• b: 17.813 ± 0.006 Å
• c: 19.826 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3280.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No