Information card for entry 7705680

Structure parameters

• Chemical name: GaI(IMes)[(NDipp)2C12H5]*2tol
• Formula: C71 H80 Ga I N4
• Calculated formula: C71 H80 Ga I N4
• SMILES: [Ga]1(I)(N(C2=C(N1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C)c1[n+](cn(c1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Synthesis and decarbonylation chemistry of gallium phosphaketenes.
• Authors of publication: Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15249 - 15255
• a: 13.654 ± 0.0001 Å
• b: 18.2902 ± 0.0001 Å
• c: 24.7157 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6172.36 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No