Information card for entry 4074335

Structure parameters

• Formula: C32 H48 Cl N3 Sn
• Calculated formula: C32 H48 Cl N3 Sn
• SMILES: [Sn]1(Cl)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N1[C@@H](CCC[C@@H]1C)C)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: 9.2399 ± 0.0018 Å
• b: 19.446 ± 0.004 Å
• c: 17.459 ± 0.004 Å
• α: 90°
• β: 98.03 ± 0.03°
• γ: 90°
• Cell volume: 3106.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No