Information card for entry 7025804

Structure parameters

• Formula: C48 H99 N7 Si4 Y4
• Calculated formula: C48 H97 N7 Si4 Y4
• SMILES: [Y]1234567([NH2][Y]89%10%11%12%13%14([NH2][Y]%15%16%17%18%19%20([NH2][Y]%21%22%23%24([H]18%15)(N9%16)([NH2]%10)([NH2]2)[c]1([Si](C)(C)C)[c]%21([c]%24([c]%22([c]%231C)C)C)C)([NH2]3)[c]1([Si](C)(C)C)[c]%20([c]%19([c]%18([c]%171C)C)C)C)[c]1([Si](C)(C)C)[c]%14([c]%13([c]%12([c]%111C)C)C)C)[c]1([Si](C)(C)C)[c]6([c]7([c]4([c]51C)C)C)C
• Title of publication: Selective ammonolysis of half-sandwich rare-earth metal dialkyl and polyhydride complexes: synthesis of polyamido rare-earth complexes having novel structures.
• Authors of publication: Shima, Takanori; Hou, Zhaomin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6858 - 6863
• a: 23.297 ± 0.004 Å
• b: 12.839 ± 0.002 Å
• c: 41.586 ± 0.007 Å
• α: 90°
• β: 92.606 ± 0.004°
• γ: 90°
• Cell volume: 12426 ± 4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• 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: 0.3029
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No