Information card for entry 4075545

Structure parameters

• Formula: C20 H31 F12 Ge N O2 P2
• Calculated formula: C20 H31 F12 Ge N O2 P2
• SMILES: [Ge]12(P(CC(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)OC(CP(=N2)(C(C)(C)C)C(C)(C)C)(C(F)(F)F)C(F)(F)F
• Title of publication: Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4170
• a: 14.454 ± 0.002 Å
• b: 9.541 ± 0.0017 Å
• c: 20.829 ± 0.004 Å
• α: 90°
• β: 107.053 ± 0.004°
• γ: 90°
• Cell volume: 2746.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1225
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No