Information card for entry 4107377

Structure parameters

• Formula: C82 H138 B2 N16 Tm2
• Calculated formula: C76 H124 B2 N16 Tm2
• SMILES: [Tm]123([N]4[Tm]56([N]1=4)(Nc1c(ccc(c1)C(C)(C)C)C(C)(C)C)[n]1n(c(cc1C(C)(C)C)C)[BH](n1[n]5c(cc1C)C(C)(C)C)n1[n]6c(cc1C)C(C)(C)C)(Nc1c(ccc(c1)C(C)(C)C)C(C)(C)C)[n]1n(c(cc1C(C)(C)C)C)[BH](n1[n]2c(cc1C)C(C)(C)C)n1[n]3c(cc1C)C(C)(C)C
• Title of publication: Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates
• Authors of publication: Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1544 - 1545
• a: 23.598 ± 0.003 Å
• b: 15.571 ± 0.002 Å
• c: 24.217 ± 0.003 Å
• α: 90°
• β: 91.4127 ± 0.0018°
• γ: 90°
• Cell volume: 8895.7 ± 1.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No