Information card for entry 4336306

Structure parameters

• Formula: C29 H28 Cl5 Ga P2
• Calculated formula: C29 H28 Cl5 Ga P2
• SMILES: C1(=P(CCC[P+]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Ga](Cl)(Cl)Cl.C(Cl)Cl
• Title of publication: Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties
• Authors of publication: Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11493 - 11502
• a: 11.8128 ± 0.0004 Å
• b: 15.2735 ± 0.0006 Å
• c: 16.6469 ± 0.0005 Å
• α: 90°
• β: 96.63 ± 0.001°
• γ: 90°
• Cell volume: 2983.39 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No