Information card for entry 7025803

Structure parameters

• Formula: C48 H100 Lu4 N8 Si4
• Calculated formula: C48 H100 Lu4 N8 Si4
• SMILES: [Lu]1234567([NH2][Lu]89%10%11%12([NH2]1)([NH2][Lu]1%13%14%15%16([NH2][Lu]%17%18%19%20([NH2]8)([NH2]2)([NH2]1)[c]1([Si](C)(C)C)[c]%18([c]%19([c]%20([c]%171C)C)C)C)([NH2]3)[c]1([Si](C)(C)C)[c]%14([c]%15([c]%16([c]%131C)C)C)C)[c]1([Si](C)(C)C)[c]%10([c]%11([c]%12([c]91C)C)C)C)[c]1([Si](C)(C)C)[c]5([c]6([c]7([c]41C)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: 13.0949 ± 0.0017 Å
• b: 13.1788 ± 0.0017 Å
• c: 18.228 ± 0.002 Å
• α: 91.212 ± 0.002°
• β: 91.112 ± 0.002°
• γ: 99.82 ± 0.002°
• Cell volume: 3098.1 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No