Information card for entry 4346782

Structure parameters

• Formula: C31 H53 N O Os P2
• Calculated formula: C31 H53 N O Os P2
• SMILES: [OsH2]12([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]3c(C=C2Oc2c1cccc2)cccc3
• Title of publication: 2-Azetidinones as Precursors of Pincer Ligands: Preparation, Structure, and Spectroscopic Properties of CC'N-Osmium Complexes.
• Authors of publication: Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oñate, Enrique; Sierra, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10998 - 11006
• a: 16.9598 ± 0.0007 Å
• b: 10.7831 ± 0.0004 Å
• c: 17.8747 ± 0.0007 Å
• α: 90°
• β: 107.179 ± 0.001°
• γ: 90°
• Cell volume: 3123.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No