Information card for entry 4107376

Structure parameters

• Formula: C52 H90 B2 N12 O Tm
• Calculated formula: C52 H90 B2 N12 O Tm
• SMILES: [Tm]123([n]4n(c(cc4C(C)(C)C)C)[BH](n4[n]1c(cc4C)C(C)(C)C)n1[n]2c(cc1C)C(C)(C)C)[n]1n(c(cc1C(C)(C)C)C)[BH](n1[n]3c(cc1C)C(C)(C)C)n1nc(cc1C)C(C)(C)C.O(CC)CC
• 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: 11.8157 ± 0.0013 Å
• b: 12.2451 ± 0.0013 Å
• c: 20.595 ± 0.002 Å
• α: 97.773 ± 0.0018°
• β: 96.1553 ± 0.0017°
• γ: 99.5271 ± 0.0018°
• Cell volume: 2885.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No