Information card for entry 7025801

Structure parameters

• Formula: C36 H75 N6 Sc3 Si3
• Calculated formula: C36 H75 N6 Sc3 Si3
• SMILES: [Sc]1234567([NH2][Sc]89%10%11%12([NH2][Sc]%13%14%15%16([NH2]8)([NH2]1)([NH2]3)[c]1([Si](C)(C)C)[c]%16([c]%15([c]%14([c]%131C)C)C)C)([NH2]2)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)[Si](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: 12.587 ± 0.002 Å
• b: 13.134 ± 0.002 Å
• c: 14.841 ± 0.003 Å
• α: 94.484 ± 0.003°
• β: 103.47 ± 0.003°
• γ: 104.442 ± 0.003°
• Cell volume: 2286.3 ± 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: 0.1395
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No