Information card for entry 7705676

Structure parameters

• Chemical name: Ga(PCO)[(NDipp)2C12H5]*tol
• Formula: C49 H53 Ga N3 O P
• Calculated formula: C49 H53 Ga N3 O P
• SMILES: [Ga]1(P=C=O)(N(C2=C(N1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1.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: 12.4092 ± 0.0002 Å
• b: 19.3221 ± 0.0003 Å
• c: 17.8085 ± 0.0003 Å
• α: 90°
• β: 90.204 ± 0.002°
• γ: 90°
• Cell volume: 4269.95 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No