Information card for entry 7044848

Structure parameters

• Formula: C49 H55 N2 P2 Tl
• Calculated formula: C49 H55 N2 P2 Tl
• SMILES: [Tl]1[N](=P(C=P(N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: PNacPNacE: (E = Ga, In, Tl) - monomeric group 13 metal(I) heterocycles stabilized by a sterically demanding bis(iminophosphoranyl)methanide
• Authors of publication: Sindlinger, Christian P.; Lawrence, Samuel R.; Acharya, Shravan; Ohlin, C. André; Stasch, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 13.367 ± 0.003 Å
• b: 19.711 ± 0.004 Å
• c: 16.535 ± 0.003 Å
• α: 90°
• β: 107.83 ± 0.03°
• γ: 90°
• Cell volume: 4147.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No