Information card for entry 7705677

Structure parameters

• Chemical name: Ga(PCO)(IMes)[(NDipp)2C12H5]*2tol
• Formula: C72 H80 Ga N4 O P
• Calculated formula: C72 H80 Ga N4 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)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: 13.6214 ± 0.001 Å
• b: 18.3845 ± 0.0012 Å
• c: 24.7906 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6208.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1113
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No