Information card for entry 7115118

Structure parameters

• Common name: [(CtBu)3P3Se3]
• Formula: C15 H27 P3 Se3
• Calculated formula: C15 H27 P3 Se3
• SMILES: [Se]1P2C3(P5([Se]P(C23C(C)(C)C)C15C(C)(C)C)=[Se])C(C)(C)C
• Title of publication: Syntheses of the novel cage compounds P3Se3C3But3 and P3Se4C3But3 and an unusual insertion reaction of [PtCl2(PMe3)] into the Se‒Se bond of the latter to give the six-coordinate Pt(iv) complex [PtCl2(PMe3)P3Se4C3But3]
• Authors of publication: Hitchcock, Peter B.; Nixon, John F.; Sakarya, Nurgün
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 1745
• a: 10.7751 ± 0.0003 Å
• b: 16.2798 ± 0.0007 Å
• c: 11.6992 ± 0.0003 Å
• α: 90°
• β: 102.264 ± 0.002°
• γ: 90°
• Cell volume: 2005.4 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No