Information card for entry 4074394

Structure parameters

• Formula: C88 H140 N8 O4 Si4 Sm2
• Calculated formula: C88 H140 N8 O4 Si4 Sm2
• SMILES: N1(C(=[N]([Sm]23456789%10%111[cH]1[cH]2[cH]8[c]92C[c]89[cH]%12[cH]%13[c]%14%15cccc[c]8%15[Sm]8%15%16%17%189%12%13%14([cH]9[cH]8[cH]%16[c]%17(C[c]83[cH]4[cH]5[c]3%10[c]78cccc3)[n]69%18)([n]12%11)[N](=C(N%15C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1.O1CCCC1.O1CCCC1.c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand
• Authors of publication: Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5165
• a: 11.566 ± 0.004 Å
• b: 13.722 ± 0.005 Å
• c: 15.778 ± 0.005 Å
• α: 94.33 ± 0.004°
• β: 105.602 ± 0.004°
• γ: 106.489 ± 0.004°
• Cell volume: 2281.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No