Information card for entry 7110550

Structure parameters

• Formula: C23 H38 Cl2 O6 P2 Pd
• Calculated formula: C23 H38 Cl2 O6 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]2([C@]3(O[C@@]4(O[C@](O[C@]2(C4)C)(C)C3)C)C)CCC[P]21[C@]1(O[C@@]3(O[C@@](O[C@@]2(C)C3)(C1)C)C)C.[Pd]1(Cl)(Cl)[P]2([C@@]3(O[C@]4(O[C@@](O[C@@]2(C4)C)(C)C3)C)C)CCC[P]21[C@@]1(O[C@]3(O[C@](O[C@]2(C)C3)(C1)C)C)C
• Title of publication: Bis(phospha-adamantyl)alkanes: a new class of very bulky diphosphines
• Authors of publication: Gee, Victoria; Guy Orpen, A.; Phetmung, Hirihattaya; Pringle, Paul G.; Pugh, Robert I.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 901
• a: 13.402 ± 0.005 Å
• b: 14.735 ± 0.003 Å
• c: 14.15 ± 0.003 Å
• α: 90°
• β: 103.48 ± 0.02°
• γ: 90°
• Cell volume: 2717.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections: 0.1596
• Weighted residual factors for significantly intense reflections: 0.1387
• Goodness-of-fit parameter for all reflections: 1.127
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No