Information card for entry 7036650

Structure parameters

• Formula: C39 H51 Cl4 Ga N2 P2
• Calculated formula: C39 H51 Cl4 Ga N2 P2
• SMILES: [Ga](Cl)([Cl-])(Cl)Cl.P1(P(c2ccccc2)CC(=C(C1)C)C)c1n(c2c(C(C)C)cccc2C(C)C)cc[n+]1c1c(cccc1C(C)C)C(C)C
• Title of publication: From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.
• Authors of publication: Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2044 - 2052
• a: 10.5864 ± 0.0005 Å
• b: 16.4856 ± 0.0008 Å
• c: 24.254 ± 0.0011 Å
• α: 90°
• β: 102.366 ± 0.002°
• γ: 90°
• Cell volume: 4134.7 ± 0.3 ų
• Cell temperature: 101.1 K
• Ambient diffraction temperature: 101.1 K
• Number of distinct elements: 6
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No