Information card for entry 7003707

Structure parameters

• Formula: C42 H39 F12 N9 Os P2
• Calculated formula: C42 H39 F12 N9 Os P2
• SMILES: [Os]123([n]4c5c(n(c4c4[n]1cc(cc4)C)C)cccc5)([n]1c4c(n(c1c1[n]2cc(cc1)C)C)cccc4)[n]1c2c(n(c1c1[n]3cc(cc1)C)C)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Towards inert and preorganized d-block-containing receptors for trivalent lanthanides: The synthesis and characterization of triple-helical monometallic OsII and bimetallic OsII‒LnIII complexes
• Authors of publication: Riis-Johannessen, Thomas; Dupont, Nathalie; Canard, Gabriel; Bernardinelli, Gérald; Hauser, Andreas; Piguet, Claude
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3661 - 3677
• a: 43.243 ± 0.009 Å
• b: 10.705 ± 0.002 Å
• c: 20.753 ± 0.004 Å
• α: 90°
• β: 117.24 ± 0.03°
• γ: 90°
• Cell volume: 8541 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No