Information card for entry 4074329

Structure parameters

• Formula: C52 H83 N3 P2 Sn
• Calculated formula: C52 H83 N3 P2 Sn
• SMILES: [Sn]1(P2C(=PC(=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds
• Authors of publication: Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4799
• a: 13.249 ± 0.003 Å
• b: 17.212 ± 0.003 Å
• c: 22.615 ± 0.005 Å
• α: 87.67 ± 0.03°
• β: 83.94 ± 0.03°
• γ: 89.49 ± 0.03°
• Cell volume: 5124.1 ± 1.9 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: 0.1262
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No