Information card for entry 4107374

Structure parameters

• Formula: C30 H58 B N7 Si2 Tm
• Calculated formula: C30 H58 B N7 Si2 Tm
• SMILES: [Tm]12(N([Si](C)(C)C)[Si](C)(C)C)[n]3n(c(cc3C(C)(C)C)C)[BH](n3[n]1c(cc3C)C(C)(C)C)n1[n]2c(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: 14.9492 ± 0.0009 Å
• b: 12.2865 ± 0.0007 Å
• c: 20.639 ± 0.0012 Å
• α: 90°
• β: 97.402 ± 0.001°
• γ: 90°
• Cell volume: 3759.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0192
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No