Information card for entry 4318416

Structure parameters

• Formula: C15 H17 N2 O P
• Calculated formula: C15 H17 N2 O P
• SMILES: P(N(C)C(=O)NC)(c1ccccc1)c1ccccc1
• Title of publication: The Monophosphino Urea Derivative PPh2NMeC(O)NMeH: A Hemilabile Ligand Switching between P,O- and P,N-Coordination
• Authors of publication: Olaf Kühl; Peter Lönnecke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4315 - 4317
• a: 8.331 ± 0.001 Å
• b: 9.9867 ± 0.0012 Å
• c: 17.333 ± 0.002 Å
• α: 90°
• β: 99.998 ± 0.002°
• γ: 90°
• Cell volume: 1420.2 ± 0.3 ų
• Cell temperature: 217 ± 2 K
• Ambient diffraction temperature: 217 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No