Information card for entry 7705679

Structure parameters

• Chemical name: GaP(PMe3)(py)[(NDipp)2C12H5]
• Formula: C44 H54 Ga N3 P2
• Calculated formula: C44 H54 Ga N3 P2
• SMILES: [Ga]1(P=P(C)(C)C)(N(C2=C(N1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• 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: 9.3557 ± 0.0001 Å
• b: 19.1486 ± 0.0002 Å
• c: 22.4817 ± 0.0002 Å
• α: 90°
• β: 96.966 ± 0.001°
• γ: 90°
• Cell volume: 3997.83 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No