Information card for entry 7050494

Structure parameters

• Common name: dtbpmO2
• Formula: C17 H38 O2 P2
• Calculated formula: C17 H38 O2 P2
• SMILES: P(=O)(CP(=O)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species
• Authors of publication: Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 540 - 550
• a: 9.5711 ± 0.0002 Å
• b: 25.0934 ± 0.0004 Å
• c: 17.6357 ± 0.0001 Å
• α: 90°
• β: 105.061 ± 0.001°
• γ: 90°
• Cell volume: 4090.1 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No