Information card for entry 1100776

Structure parameters

• Common name: J*N(Me)Tl
• Formula: C25.75 H30 N O0.25 Tl
• Calculated formula: C25.75 H30 N O0.25 Tl
• SMILES: [Tl]N(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C.COCC
• Title of publication: A Monomeric Thallium(I) Amide in the Solid State: Synthesis and Structure of TlN(Me)Ar^Mes~2~^ (Ar^Mes~2~^= C~6~H~3~-2,6-Mes~2~)
• Authors of publication: Robert J. Wright; Marcin Brynda; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3368 - 3370
• a: 14.0469 ± 0.0008 Å
• b: 23.9451 ± 0.0013 Å
• c: 14.2106 ± 0.0008 Å
• α: 90°
• β: 110.88 ± 0.001°
• γ: 90°
• Cell volume: 4465.9 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No