Information card for entry 7044846

Structure parameters

• Formula: C49 H55 Ga N2 P2
• Calculated formula: C49 H55 Ga N2 P2
• SMILES: [Ga]1[N](=P(C=P(N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: PNacPNacE: (E = Ga, In, Tl) - monomeric group 13 metal(I) heterocycles stabilized by a sterically demanding bis(iminophosphoranyl)methanide
• Authors of publication: Sindlinger, Christian P.; Lawrence, Samuel R.; Acharya, Shravan; Ohlin, C. André; Stasch, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 8.9222 ± 0.0008 Å
• b: 10.7694 ± 0.001 Å
• c: 22.723 ± 0.003 Å
• α: 82.923 ± 0.01°
• β: 82.048 ± 0.01°
• γ: 78.025 ± 0.008°
• Cell volume: 2105.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No