Information card for entry 4301465

Structure parameters

• Formula: C24 H26 Cl4 Ga N2 P Se
• Calculated formula: C24 H26 Cl4 Ga N2 P Se
• SMILES: [Se]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=CC=N1)C(C)(C)C.[Ga](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Donor-Acceptor Chemistry at Heavy Chalcogen Centers
• Authors of publication: Jason L. Dutton; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1722 - 1730
• a: 11.879 ± 0.002 Å
• b: 11.763 ± 0.002 Å
• c: 20.177 ± 0.004 Å
• α: 90°
• β: 94.38 ± 0.03°
• γ: 90°
• Cell volume: 2811.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No