Information card for entry 7023970

Structure parameters

• Formula: C58 H59 N4 O Si Y
• Calculated formula: C58 H59 N4 O Si Y
• SMILES: [Y]123456([O]7CCCC7)([N](=C(N1c1ccccc1)C#Cc1ccccc1)c1ccccc1)([N](=C(N2c1ccccc1)C#Cc1ccccc1)c1ccccc1)[c]1([Si](C)(C)C)[c]3([c]4([c]5([c]61C)C)C)C
• Title of publication: Half-sandwich bis(propiolamidinate) rare-earth metal complexes: synthesis, structure and dissociation of the cyclopentadienyl ligand via competition with an amidinate.
• Authors of publication: Xu, Ling; Wang, Yu-Chen; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 47
• Pages of publication: 16466 - 16469
• a: 13.1931 ± 0.0009 Å
• b: 19.6695 ± 0.0015 Å
• c: 20.343 ± 0.002 Å
• α: 90°
• β: 106.481 ± 0.009°
• γ: 90°
• Cell volume: 5062.1 ± 0.8 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.1444
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No