Information card for entry 4113343

Structure parameters

• Formula: C27 H28 Cl4 Ga P3
• Calculated formula: C27 H28 Cl4 Ga P3
• SMILES: P([P+](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.[Ga](Cl)([Cl-])(Cl)Cl
• Title of publication: Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications
• Authors of publication: Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 17067 - 17073
• a: 10.8925 ± 0.0004 Å
• b: 11.9222 ± 0.0004 Å
• c: 12.5883 ± 0.0004 Å
• α: 80.674 ± 0.001°
• β: 78.371 ± 0.001°
• γ: 70.066 ± 0.001°
• Cell volume: 1497.51 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No