Information card for entry 2013403

Structure parameters

• Chemical name: 4,6,7,8-tetra-tert-butyl-1,2,3-triphospha-5- phosphoniapentacyclo[3.2.1.0^2,4^.0^3,8^]oct-6-ene tetraiodogallate
• Formula: C20 H37 Ga I4 P4
• Calculated formula: C20 H37 Ga I4 P4
• SMILES: I[Ga]([I-])(I)I.P12P3[C@]2([P@H+]2[C@@]3(P1C(=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.I[Ga]([I-])(I)I.P12P3[C@@]2([P@@H+]2[C@]3(P1C(=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane
• Authors of publication: Baker, Robert J.; Bettentrup, Helga; Jones, Cameron
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m339 - m341
• a: 9.629 ± 0.0019 Å
• b: 12.459 ± 0.003 Å
• c: 13.867 ± 0.003 Å
• α: 82.91 ± 0.03°
• β: 81.28 ± 0.03°
• γ: 83.65 ± 0.03°
• Cell volume: 1624.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes