Information card for entry 7026016

Structure parameters

• Formula: C64 H76 Er4 N8 O8 S4
• Calculated formula: C64 H76 Er4 N8 O8 S4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Er]167892345[n]2c([nH]c3c2cccc3)[S]6[Er]23456%10%11%12([cH]%13[cH]%10[cH]%11[cH]%12[cH]2%13)[OH]8[Er]28%10%11%12%13%14([cH]%15[cH]%10[cH]%11[cH]2[cH]8%15)([n]2c([S]7%12)[nH]c7c2cccc7)[OH]1[Er]1278%10([cH]%11[cH]1[cH]7[cH]8[cH]2%11)([n]1c([S]%14%10)[nH]c2c1cccc2)([OH]94)([OH]5%13)[S]6c1[n]3c2ccccc2[nH]1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 27.815 ± 0.009 Å
• b: 10.978 ± 0.003 Å
• c: 26.611 ± 0.008 Å
• α: 90°
• β: 93.602 ± 0.004°
• γ: 90°
• Cell volume: 8110 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No