Information card for entry 7044847

Structure parameters

• Formula: C49 H55 Ga I2 N2 P2
• Calculated formula: C49 H55 Ga I2 N2 P2
• SMILES: I[Ga]1([N](=P(C=P(N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)I
• 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: 9.477 ± 0.0019 Å
• b: 10.759 ± 0.002 Å
• c: 23.466 ± 0.005 Å
• α: 89.37 ± 0.03°
• β: 88.94 ± 0.03°
• γ: 70.95 ± 0.03°
• Cell volume: 2261.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No