Information card for entry 7011772

Structure parameters

• Common name: [YI(thf)2(C6H3iPr2NCH2CH2CH2NC6H3iPr2)]
• Formula: C35 H56 I N2 O2 Y
• Calculated formula: C35 H56 I N2 O2 Y
• SMILES: [Y]1(I)([O]2CCCC2)([O]2CCCC2)N(CCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Yttrium iodide and bis(trimethylsilyl)methyl complexes of the chelating diamide [ArN(CH2)3NAr]2− (Ar = 2,6-iPr2C6H3)
• Authors of publication: Cloke, F. Geoffrey N.; Elvidge, Benjamin R.; Hitchcock, Peter B.; Lamarche, Vanessa M. E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2413
• a: 9.031 ± 0.005 Å
• b: 21.883 ± 0.007 Å
• c: 18.653 ± 0.007 Å
• α: 90°
• β: 98.93 ± 0.04°
• γ: 90°
• Cell volume: 3642 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0875
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No