Information card for entry 7004963

Structure parameters

• Formula: C80 H118 N6 Sm
• Calculated formula: C80 H118 N6 Sm
• SMILES: [Sm]12([N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C)[N](=C(N2c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C.c1ccccc1
• Title of publication: Homoleptic lanthanide(II)-bis(guanidinate) complexes, [Ln(Giso)(2)] (Giso = [(ArN)(2)CN(C(6)H(11))(2)](-), Ar = C(6)H(3)Pr(i)(2)-2,6): planar 4-coordinate (Ln = Sm or Eu) vs distorted tetrahedral (Ln = Yb) geometries.
• Authors of publication: Heitmann, Dennis; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 2
• Pages of publication: 187 - 189
• a: 12.62 ± 0.003 Å
• b: 31.033 ± 0.006 Å
• c: 18.64 ± 0.004 Å
• α: 90°
• β: 99.11 ± 0.03°
• γ: 90°
• Cell volume: 7208 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No