Information card for entry 7005940

Structure parameters

• Formula: C74 H104 I2 N4 O2 Y2
• Calculated formula: C74 H104 I2 N4 O2 Y2
• SMILES: CC1=CC(C)=[N]([Y]2(N1c1c(cccc1C(C)C)C(C)C)(I)[O]([Y]1(I)([N](=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[O]2C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Synthesis and characterisation of yttrium complexes supported by the beta-diketiminate ligand {ArNC(CH3)CHC(CH3)NAr}- (Ar = 2,6-Pr(i)2C6H3).
• Authors of publication: Liddle, Stephen T.; Arnold, Polly L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3305 - 3313
• a: 13.7763 ± 0.0008 Å
• b: 21.4051 ± 0.0012 Å
• c: 12.5537 ± 0.0007 Å
• α: 90°
• β: 98.384 ± 0.002°
• γ: 90°
• Cell volume: 3662.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No