Information card for entry 4113346

Structure parameters

• Formula: C50 H44 Cl8 Ga2 P4
• Calculated formula: C50 H44 Cl8 Ga2 P4
• SMILES: C([P+](P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ga]([Cl-])(Cl)(Cl)Cl.[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: 11.9005 ± 0.0007 Å
• b: 19.0058 ± 0.0011 Å
• c: 12.6136 ± 0.0008 Å
• α: 90°
• β: 109.699 ± 0.001°
• γ: 90°
• Cell volume: 2686 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0376
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No