Information card for entry 7014016

Structure parameters

• Formula: C87 H141 N6 O Y3
• Calculated formula: C87 H141 N6 O Y3
• SMILES: [Y]1234([H][Y]567([H][Y]8([H]1)([H]25)([H]36)([O]1CCCC1)[NH](CCN8c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N(CC[NH]7c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N(CCN4c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CCCCC
• Title of publication: Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.
• Authors of publication: Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 1083 - 1096
• a: 25.4497 ± 0.0007 Å
• b: 14.2389 ± 0.0003 Å
• c: 25.1449 ± 0.0005 Å
• α: 90°
• β: 105.14 ± 0.001°
• γ: 90°
• Cell volume: 8795.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.173
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No