Information card for entry 7705044

Structure parameters

• Formula: C61 H71 B F15 Li N2 O4 Te
• Calculated formula: C61 H71 B F15 Li N2 O4 Te
• SMILES: [Te]=C1N(c2c(cccc2C(C)C)C(C)C)C(=CN1c1c(C(C)C)cccc1C(C)C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.O1(CCCC1)[Li]([O]1CCCC1)([O](CC)CC)[O](CC)CC
• Title of publication: Chalcogen complexes of anionic N-heterocyclic carbenes.
• Authors of publication: Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 38
• Pages of publication: 13207 - 13217
• a: 13.18 ± 0.0004 Å
• b: 14.511 ± 0.0004 Å
• c: 16.99 ± 0.0004 Å
• α: 100.74 ± 0.002°
• β: 103.21 ± 0.002°
• γ: 92.73 ± 0.002°
• Cell volume: 3094.17 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No