Information card for entry 7025594

Structure parameters

• Common name: ((DIPP-NBN)Y(DMA))
• Formula: C72 H100 B2 N6 Y2
• Calculated formula: C72 H100 B2 N6 Y2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1BN2C3=C([CH]4=[CH]5[CH]6=[C]3(C(C)C)[Y]37456(Cc4ccccc4[N]3(C)C)N(c3c(cccc3C(C)C)C(C)C)BN7C3=C([CH]4=[CH]5[CH]6=[C]3(C(C)C)[Y]312456Cc1ccccc1[N]3(C)C)C(C)C)C(C)C.c1ccccc1
• Title of publication: Syntheses and structures of bora-amidinate lanthanide(III) complexes.
• Authors of publication: Harder, Sjoerd
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6677 - 6681
• a: 18.1964 ± 0.0008 Å
• b: 16.0669 ± 0.0006 Å
• c: 23.1829 ± 0.001 Å
• α: 90°
• β: 92.806 ± 0.002°
• γ: 90°
• Cell volume: 6769.6 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No